caldariellaquinol

A 1-benzothiophene that is 1-benzothiophene-4,7-diol bearing additional methylthio and 3,7,11,15,19,23-hexamethyltetracosyl substituents at positions 5 and 6 respectively


name: 1-[2-(2-methoxyanilino)-2-oxoethyl]-2-benzofuro[3,2-b]pyrrolecarboxylic acid methyl ester


betaestacin I

A sesterterpene.


buddlenol C

A guaiacyl lignin that is syringaresinol in which one of the phenolic hydrogens is replaced by a guaiacylglycerol group. It is found in Arabidopsis thaliana.


fosdenopterin

A linear-fused organic heterotetracyclic compound consisting of a [1,3,2]dioxaphosphinane fused to a pyran ring which is in turn fused to a pteridine ring system. Molybdenum cofactor biosynthesis intermediate. Dehydrated derivative known as precursor Z.


L-tyrosine 2-naphthylamide

An L-tyrosine derivative that is the amide obtained by formal condensation of the carboxy group of L-tyrosine with the amino group of 2-naphthylamine.


A tetrahydrofolyl glutamate consisting of a tetrahydrofolyl group linked via an amide bond to a poly(gamma-glutamyl chain)


name: 4-(1H-indol-3-yl)butanoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester


aza-steroid

An aza-steroid is a steroid where in the carbon skeleton a carbon atom is replaced by nitrogen.


dihydromacarpine

A benzophenanthridine alkaloid that is dihydrosanguinarine bearing two methoxy substituents.


hydroxynaphthalene

Any member of the class of  naphthalenes that is naphthalene carrying one or more hydroxy groups.


name: 3-[5-(diethylsulfamoyl)-1-methyl-2-benzimidazolyl]propanoic acid [2-(3,5-dichloroanilino)-2-oxoethyl] ester


6-O-methyl-2-deprenylrheediaxanthone B

An organic heterotetracyclic compound that is 1,2-dihydro-6H-furo[2,3-c]xanthene substituted by hydroxy groups at positions 5 and 10, a methoxy group at position 9 and methyl groups at positions 1, 1 and 2 and an oxo group at position 6. Isolated from the stem barks of Garcinia vieillardii, it exhibits antioxidant activity.


INDOXYL SULFATE

An aryl sulfate that is indoxyl in which the hydroxyl hydrogen is substituted by a sulfo group.


10-formyldihydrofolic acid

The 10-formyl derivative of dihydrofolic acid.


name: 2-[[5-(dimethylsulfamoyl)-1H-indol-3-yl]methylidene]propanedioic acid diethyl ester


FRAXINE

A beta-D-glucoside that is fraxetin attached to a beta-D-glucopyranosyl group at position 8 via a glycosidic linkage. It is a natural product isolated from the leaves of Fraxinus excelsior and exhibits potent hepatoprotective effects in vitro and in vivo.


benzophenanthridine alkaloid

A specific group of isoquinoline alkaloids that occur only in higher plants and are constituents mainly of the Papaveraceae family.


An indole alkaloid that is canthin-6-one substituted by a hydroxy group at position 10. Isolated from Simaba multiflora, it exhibits antineoplastic activity.


A 2-benzofuran consisting of phthalide having a butylidene group at the 3-position.


A cationic fluorescent dye derived from 9-phenylxanthene.


Compounds based on a fused 1,2-oxazole and benzene bicyclic ring skeleton, with the N atom positioned adjacent to one of the positions of ring fusion.


HAEMATOXYLIN

An organic heterotetracyclic compound 7,11b-dihydroindeno[2,1-c]chromene carrying five hydroxy substituents at positions 3, 4, 6a, 9 and 10. The most important and most used dye in histology, histochemistry, histopathology and in cytology.


A member of the class of imidazopyrimidines that is imidazo[1,2-a]pyrimidine substituted at positions 2 and 3 by phenyl and nitroso groups respectively.


The (S)-enantiomer of flavan.


coumestans

Members of the class of benzofurochromene with a 6H-[1]benzofuro[3,2-c]chromene skeleton and its substituted derivatives. They are the 3,4-didehydroderivatives of pterocarpans.


A tetrahydrofolyl glutamate consisting of a 10-formyltetrahydrofolyl group linked via an amide bond to a poly(gamma-glutamyl chain)


perylenediimide

The 3,4,9,10-tetracarboxylic diimide derivative of perylene.


flutemetamol

A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by 3-((18)F)fluoro-4-(methylamino)phenyl and hydroxy groups at positions 3 and 6 respectively. A positron emission tomography imaging ligand for the detection of amyloid aggregation associated with Alzheimer disease.


name: 2,5-dimethyl-3-furancarboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester


tetracyclic antidepressant

An antidepressant whose molecular structure consists of four ring-like structures in a T-shape.


An organic heterohexacyclic compound that is 3-methylcholanthrene which has undergone epoxidation by the formal 1,2-addition of an oxygen atom to the double bond at the 11-12 position.


VITAMIN K3H2

A naphthalene-1,4-diol having a methyl substituent at the 2-position.


ortho-fused compound

A polycyclic compound in which two rings have two, and only two, atoms in common. Such compounds have n common faces and 2n common atoms.


name: 2-anilino-5-(1H-indol-3-ylmethylidene)-4-oxo-3-thiophenecarboxylic acid ethyl ester


A  methyladenine that is adenine substituted with a methyl group at position N-3.


fullerene

A compound composed solely of an even number of carbon atoms, which form a cage-like fused-ring polycyclic system with twelve five-membered rings and the rest six-membered rings. The term has been broadened to include any closed cage structure consisting entirely of three-coordinate carbon atoms.


pyridopyrimidine

Any organic heterobicyclic compound consisting of a pyridine ring ortho-fused at any position to a pyrimidine ring.


name: 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid methyl ester


name: 2-ethyl-4-[[(3-methyl-2-benzofuranyl)-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester


Compounds based on a fused 1,3-oxazole and benzene bicyclic ring skeleton.


pregnane conjugate

Any pregnane derivative where the pregnane is conjugated.


A fluorescent dye having an absorption wavelength of 580 nm and an emission wavelength of 601 nm, derived from a xanthene-based heteroheptacycle.


THALICPUREINE

A phenanthrene substituted by a 2-(methylamino)ethyl group at position 1 and by methoxy groups at positions 2,3,4,6 and 7, respectively. It is a plant metabolite isolated from Annona purpurea and Fagonia olivieri.


A hydroxyflavan that is (2S)-flavan substituted by hydroxy groups at positions 7 and 3', a methoxy group at position 4' and a methyl group at position 8.


FLAVANE

The simplest member of the class of flavans that is chromane substituted by a phenyl group at position 2.


penamecillin

A penicillanic acid ester that is the acetoxymethyl ester of benzylpenicillin. It is a prodrug for benzylpenicillin.


trihydroxyflavan

Any hydroxyflavan containing 3 hydroxy groups.


A  ring assembly that consist of (+)-catechin and epirobinetinidol units. Isolated from Acacia mearnsii, it exhibits inhibitory activity against alpha-amylase.


A methylguanine carrying the methyl substituent at position 3.


pyrazolooxadiazepine

An organic heterobicyclic compound whose skeleton consists of a pyrazole ring ortho-fused to a diazepine ring.


A pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine bearing quinolin-4-yl and 4-isopropyloxyphenyl substituents at positions 3 and 6 respectively.


androstan-3-yl hydroperoxide

An androstanoid that is androstane carrying a hyroperoxy substituent at position 3.


An oxindole that is indolin-2-one substituted at position 3 by thiazol-2-yl and hydroxy groups.


A member of the class of indazoles that is linifanib in which the 2-fluoro-5-methylphenyl group has been replaced by a 2-methylphenyl group. A cell-permeable 3-aminoindazolylurea compound, it acts as a potent and ATP-competitive inhibitor of VEGFR2/KDR (IC50 = 3 nM) as well as Flt3 and cKit (IC50 = 4 to 20 nM). Shown to block VEGF-induced VEGFR2 phosphorylation in 3T3-murine fibroblasts in vitro.


A dihydronaphthalene hydrogenated at C-1 and C-2.


homoflavonoid

Any organic heteropolycyclic compound characterized by addition of an extra carbon atom to the C6-C3-C6 backbone of the flavonoid skeleton. They are commonly found in the genus Ophioglossum.


tavaborole

A member of the class of benzoxaboroles that is 1,3-dihydro-1-hydroxy-2,1-benzoxaborole substituted at position 5 by a fluoro group. A topical antifungal agent used for the treatment of onychomycosis (fungal infection of the toenails and fingernails).


aiphanol

A lignan that is (2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethanol which is  substituted by a 2-(3,5-dihydroxyphenyl)ethenyl group at position 6 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 3. It is a stilbenolignan isolated from the seeds of Aiphanes aculeata and exhibits potent inhibitory efficacy against cyclooxygenase-1 and -2 (COX-1 and COX-2).


name: 4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid ethyl ester


sideretin hexoside

R1=hexoside,R2=H,R3=H; R1=H,R2=hexoside,R3=H; R1=H,R2=H,R3=hexoside


16beta-hydroxy steroid

A 16-hydroxy steroid in which the hydroxy group at position 16 has a beta-configuration.


lanostane ester

Any steroid ester based on a lanostane skeleton.


8-hydroxy steroid

Any hydroxy steroid having a hydroxy group located at position 8.


carbopentacyclic compound

A carbopolyclic compound comprising of five carbocyclic rings.


name: 5-[[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester


isonitramine

A azaspiro compound that is 2-azaspiro[5.5]undecane carrying a hydroxy substituent at position 7 (the 6R,7R-diastereomer). A synthetic Nitraria alkaloid.


A quinolizidine alkaloid obtained by formal dehydrogenation at the 2,3-position of sparteine.


An organofluorine compound that is adenine in which the hydrogen at position 2 (the carbon between the two nitrogens of the pyrimidine ring) is replaced by a fluorine.


PSEUROTIN A

A spirocyclic that is 1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione bearing 1,2-dihydroxyhex-3-en-1-yl, methyl, methoxy, benzoyl and hydroxy substituents at positions 2, 3, 8, 8 and 9 respectively.


2-naphthyl beta-L-fucoside

A beta-L-fucoside that is beta-L-fucopyranose in which the anomeric hydroxy hydrogen is replaced by a 2-naphthyl group.


A member of the class of 1,3-benzoxazoles that is 1,3-benzoxazole substituted by a methyl group at position 2.


name: 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester


name: 4-(dimethylamino)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


pyrazolotriazine

Any organic heterobicyclic compound where the triazine ring is ortho-fused to a pyrazole ring.


name: 2-chloro-3-pyridinecarboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester


EHNA

EHNA of absolute configuration 2R,3S. Selective inhibitor of cGMP-stimulated phosphodiesterase (PDE2) (IC50 = 0.8 - 4 mM). Also a potent inhibitor of adenosine deaminase.


An epoxide that is cyclohexene substituted at positions 3 and 4 by an epoxy group.


14beta-hydroxy steroid

A 14-hydroxy steroid in which the hydroxy group has a beta-configuration.


imipenem

A broad-spectrum, intravenous beta-lactam antibiotic of the carbapenem subgroup.


name: 2-(3,4-dimethyl-6-oxo-2H-pyrano[2,3-c]pyrazol-5-yl)acetic acid ethyl ester


name: 4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxylic acid methyl ester


A disaccharide derivative that consists of 5-hydroxy-2-methylchromone substituted by a rutinosyl group at position 7 via a glycosidic linkage. Isolated from Crossosoma bigelovii, it exhibits antineoplastic activity.


7-hydroxy steroid

A hydroxy steroid carrying a hydroxy substituent at position 7.


brazilein

A organic heterotetracyclic compound that is a red pigment obtained from the wood of Caesalpinia echinata (Brazil-wood) or Caesalpinia sappan (sappan-wood).


N,N-dimethyltryptaminium

Major microspecies at pH 7.3


quadrangularin A

An indane-derived stilbenoid that is a homodimer obtained by cyclodimerisation of resveratrol.


name: cyclopentanecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: acetic acid (4-acetyloxy-6,7-dimethyl-5,8-dihydronaphthalen-1-yl) ester


name: 4-fluorobenzoic acid (3,4-dihydro-2H-naphthalen-1-ylideneamino) ester


terpendole L

A natural product found in Albophoma yamanashiensis.


5-formimidoyltetrahydrofolic acid

The 5-formimidoyl derivative of tetrahydrofolic acid.


name: acetic acid [[1-methyl-2-(4-morpholinyl)-3-indolyl]methylideneamino] ester


A 5,6,7,8-tetrahydrobiopterin in which the 1,2-dihydroxypropyl group has (1S,2S)-configuration.


A member of the class of ureas that is urea substituted by a (3beta,22E)-ergosta-4,6,8(14),22-tetraen-3-yl  group at position 1. Isolated from the fruit bodies of the fungus Chlorophyllum molybdites, it exhibits cytotoxicity against Kato III cells.


An N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of L-alanyl-L-phenylalanyl-L-proline with the amino group of 2-naphthylamine.


Major microspecies at pH 7.3.


An N-glycosyl compound that is N-benzyladenine in which an alpha-D-glucopyranosyl residue is attached at position N-9.


Any carboxamide resulting from the formal condensation of a carboxylic acid with 2-naphthylamine.


binimetinib

A member of the class of benzimidazoles that is 1-methyl-1H-benzimidazole which is substituted at positions 4, 5, and 6 by fluorine, (4-bromo-2-fluorophenyl)nitrilo, and N-(2-hydroxyethoxy)aminocarbonyl groups, respectively. It is a MEK1 and MEK2 inhibitor (IC50= 12 nM). Approved by the FDA for the  treatment of patients with unresectable or metastatic melanoma with a BRAF V600E or V600K mutation in combination with encorafenib.


name: 2-(1-naphthalenyl)acetic acid [[amino-(4-methylphenyl)methylidene]amino] ester


A methylhypoxanthine that is hypoxanthine with the methyl group at position 9.


A monoterpenoid indole alkaloid with formula C22H24N2O4, originallly isolated from the seeds of Strychnos nux-vomica.


A member of the class of imidazo[2,1-b][1,3]oxazines resulting from the fusion of the bond between positions 2 and 1 of 1H-imidazole with the bond between positions 2 and 3 of 3,4-dihydro-2H-1,3-oxazine.


A pyrazolopyrimidine that is 1H-pyrazolo[3,4-d]pyrimidine which is substituted by a cyclopentyl, 1H-pyrrolo[2,3-b]pyridin-5-yl, and amino groups at positions 1, 3 and 4, respectively. It is a dual inhibitor of tyrosine and phosphoinositide kinases and exhibits anti-cancer properties.


N,O-dimethylserotonin

A tryptamine derivative hahing a methoxy group at position 5 of the indole portion and a methyl substituent on the side-chain nitrogen.


dehydrodeoxycoformycin

A coformycin that is dehydrocoformycin with the hydroxy group at position 2 replaced with a hydrogen.


An oxaspiro compound that is 1,2-dioxaspiro[4.5]decane substituted by methyl, 2-hydroxyethyl and tert-butyl groups at positions 3, 3 and 8, respectivey (the 5s,8s-stereoisomer). It induces ferroptosis in cancer cells by indirectly inhibiting glutathione peroxidase 4 (GPX4) enzymatic function and directly oxidizes iron leading to widespread lipid peroxidation.


name: 3-chloro-2-thiophenecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


A tetrapeptide obtained by formal condensation of the C-terminal carboxy group of Ac-Tyr-Val-Ala-Asp with the amino group of 7-amino-4-trifluoromethylcoumarin.


lanostane derivative

Any steroid (or derivative) based on a lanostane skeleton.


benzazepine

A group of two-ring heterocyclic compounds consisting of a benzene ring fused to an azepine ring.


name: 2-[(2,5-dimethylphenyl)thio]acetic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester


(S)-dyphylline

The (S)-enantiomer of dyphylline.


stigmastane derivative

Any steroid (or derivative) based on a stigmastane skeleton.


STELLATIN

A member of the class of chromones that is chromone substituted by a hydroxy group at position 5, a methyl group at position 2 and methoxy groups at positions 6 and 7 respectively. It has been isolated from Pisonia aculeata.


indolmycin

A member of the class of 1,3-oxazoles that is 1,3-oxazol-4(5H)-one which is substituted at the 2 and 5-pro-S positions by methylamino and [(1R)-1-(1H-indol-3-yl)ethyl] groups, respectively.


(R)-salsolinol-1-carboxylate zwitterion

Major microspecies at pH 7.3.


name: 2-benzofurancarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: 3,4-difluorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-2-furancarboxylic acid methyl ester


Any hydroxyflavone with a hydroxy substituent at position 5' and a methoxy substituent at position 3'.


An oxopurine that is 1-methyl-7H-xanthine in which the hydrogen attached to the nitrogen at position 3 has been replaced by a propyl group.


A ring assembly that consists of robinetinidol attached to a gallocatechin unit resulting in a bond between C-4 of the pyran ring and C-8 of the benzopyran ring. It is isolated from Acacia mearnsii.


cresyl violet

A cationic heterotetracyclic fluorescent dye derived from benzo[a]phenoxazine.


An optically active form of 6-methoxymellein having (R)-configuration.


A pteridine that is lumazine substituted with a 3-hydroxypropyl group at position 8 and a methyl group at position 7; one of 20 modifications to the potent microbial riboflavin-based metabolite antigen 5-(2-oxopropylideneamino)-6-D-ribityl aminouracil (5-OP-RU), an activator of mucosal-associated invariant T (MAIT) cells when presented by the MR1 protein (reported in MED:32123373).


name: tetramethylrhodamine ethyl ester perchlorate

description: An organic perchlorate salt that has tetramethylrhodamine ethyl ester(1+) as the cation. It is used as a cell-permeant, cationic, red-orange fluorescent dye that is readily sequestered by active mitochondria.


An isochromane that is mellein bearing an additional hydroxy substituent at the 6-position.


A 2-demethylmenaquinol whose structure comprises a benzohydroquinone nucleus and a side chain of eight isoprenoid units.


estrane conjugate

Any estranoid where the estrane is conjugated.


A metabolite of thioguanine, a drug used in cancer chemotherapy.


methylophiopogonone A

A homoisoflavonoid that is 4H-1-benzopyran-4-one substituted by hydroxy groups at positions 5 and 7, methyl groups at positions 6 and 8 and a (2H-1,3-benzodioxol-5-yl)methyl group at position 3 respectively.


6-hydroxyindole sulfate

A member of the class of indoles that is 6-hydroxyindole in which the phenolic hydrogen has been replaced by a sulfo group.


A menaquinol whose structure comprises a 2-methylbenzohydroquinone nucleus and a side chain of ten isoprenoid units.


name: 3-methyl-6-thiophen-2-yl-4-isoxazolo[5,4-b]pyridinecarboxylic acid ethyl ester


Any carboxamide resulting from the formal condensation of a carboxylic acid with 1-naphthylamine.


An N-(2-naphthyl)carboxamide obtained by formal condensation of the C-terminal carboxy group of L-glutamylglycyl-L-arginine with the amino group of 2-naphthylamine.


An oxindole that is 1,3-dihydro-2H-indol-2-one which is substituted by ethyl and methoxy groups at position 3.


flavonoid oligomer

A phenylpropanoid obtained by the coupling of two or more units of aryl-substituted benzopyran units and their substituted derivatives.


The simplest member of the class of dihydroisocoumarins that is the 3,4-dihydro derivative of isocoumarin.


name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester


meleagrine

An  indole alkaloid with a heterotetracyclic skeleton isolated from Penicillium oxalicum.


RACEMETHORPHAN

An organic heterotetracyclic compound that is 1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene which is substituted by a methoxy group at position 6 and a methyl group at position 11.


A 2-alkylglycerol in which glycerol is linked to 8-[3]-ladderane-octanyl via an ether-bond at position 2. Glycerols, substituted by ladderanes are core lipids of anammox bacteria.


An anhydrohexose obtained by formation of a ring across the 3 and 6 positions of alpha-L-galactopyranose.


name: 6-(4-ethoxy-3-methoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid methyl ester


name: 4-[[2-[(3-methylphenyl)methylidene]-3-oxo-4H-1,4-benzothiazin-6-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester


(R)-talarozole

An N-{4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine that is the (R)-enantiomer of talarozole. The racemate is used for the treatment of keratinization disorders, psoriasis and acne.


licoarylcoumarin

A member of the class of coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 5, a 2-methylbut-3-en-2yl group at position 8 and a 2,4-dihydroxyphenyl group at position 3. It has been isolated from Glycyrrhiza uralensis.


maackiapterocarpan A

A member of the class of pterocarpans that is pterocarpan substituted by a hydroxy group at position 3, a methylenedioxy group across positions 8 and 9 and a 2,2-dimethyltetrahydro-2H-pyran ring fused across positions 1 and 2 (the 8aR,14aR stereoisomer). Isolated from the stem barks of Maackia amurensis,it exhibits cytotoxicity against human cancer cell lines.


A member of the class of oxindoles that is oxindole (1,3-dihydro-2H-indol-2-one) in which one of the hydrogens at position 3 has been replaced by a methyl group.


name: 5-ethoxy-3-methyl-2-benzofurancarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester


name: 3,5-dimethyl-4-isoxazolecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester


A member of the class of isoquinolines that is 1-benzylisoquinoline carrying an additional butyl substituent at position 4 on the phenyl ring.


benzodiazepine

A group of heterocyclic compounds with a core structure containing a benzene ring fused to a diazepine ring.


name: 2-[[1-oxo-2-[2-oxo-2-(1-piperidinyl)ethyl]-5-isoquinolinyl]oxy]acetic acid ethyl ester


16-epiestriol 3-O-(beta-D-glucuronide)

A steroid glucosiduronic acid that is 16-epiestriol having a single beta-D-glucuronic acid residue attached at position 3.


2'-deoxymeranzin hydrate

A member of the class of coumarins carrying methoxy and 3-hydroxy-3-methylbutyl substituents at positions 7 and 8 respectively.


name: 2-furancarboxylic acid [4-[[[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]hydrazinylidene]methyl]phenyl] ester


chaetoglobosin V

A cytochalasan alkaloid  found in Chaetomium globosum.


naphthalenediol

A class of naphthalenediols that consists solely of naphthelene with any two of its hydrogens replaced by hydroxy groups. A 'closed class'.


hexahydronaphthalenes

Any carbobycyclic compound that is an hexahydronaphthalene or a compound obtained from an hexahydronaphthalene by formal substitution of one or more hydrogens.


A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 9, a methoxy group at position 1 and a prenyl groups at positions 2 and 8. It has been isolated from Glycyrrhiza uralensis.


name: 1-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]-4-piperidinecarboxylic acid methyl ester


imidazopyrazole

Any organic heterobicyclic compound that is imidazole ortho-fused to a pyrazole ring.


fluorescein isothiocyanate

An oxaspiro compound that is an isothiocyanato derivative of fluorescein. It exists as two isomers, with the isothiocyanato group located at either the 5- or 6-position.


A member of the class of benzimidazoles that is benzimidazole in which the hydrogen at position 2 is replaced by an amino group.


A fluorescein compound having chlorine substituents in the 2'-, 4-, 4'-, 5'-, 7- and 7'-positions and a succinimidyloxycarbonyl substituent at the 6-position.


lumazine

A 2,4-dihydroxypteridine.


L-threonine 2-naphthylamide

An L-threonine derivative that is the amide obtained by formal condensation of the carboxy group of L-threonine with the amino group of 2-naphthylamine.


Isoquinoline in which the hydrogens at positions 6 and 8 are substituted by hydroxy groups, and those at positions 1 and 3 are substituted by methyl groups.


glandicoline B

An indole alkaloid with a tetracyclic skeleton that is isolated from Penicillium chrysogenum.


cremastranone

A homoisoflavonoid that is 2,3-dihydro-4H-chromen-4-onethat is substituted by hydroxy groups at positions 5 and 7, a methoxy group at position 6, and a 3-hydroxy-4-methoxybenzyl group at position 3. It has been isolated from various plants, including the bulb of Cremastra appendiculata.


name: 7-hydroxyimino-1,7a-dihydrocyclopropa[b][1]benzopyran-1a-carboxylic acid ethyl ester


azaspiro compound

An azaspiro compound is a spiro compound in which at least one of the cyclic components is a nitrogen heterocyle.


OSTHENOL

A hydroxycoumarin that is umbelliferone in which the hydrogen at position 8 has been replaced by a prenyl group.


A monoterpenoid indole alkaloid with formula C23H24N2O5, originallly isolated from the seeds of Strychnos nux-vomica.


9-hydroxy steroid

A hydroxy steroid having a hydroxy group located at position 9.


tetrahydromonapterin

A tetrahydropterin that is monapterin tetrahydrogenated at positions 5, 6, 7 and 8.


methylguanine

A 2-aminopurine that is guanine bearing a single methyl substituent.


L-alanine 2-naphthylamide

An L-alanine derivative that is the amide obtained by formal condensation of the carboxy group of L-alanine with the amino group of 2-naphthylamine.


A 3-methylguanine that is 3,7-dihydro-6H-purin-6-one substituted by an amino group at position 2 and a methyl group at position 3.


An  anthracenetriol that is anthracene substituted by hydroxy groups at positions 1, 8 and 9.


A mononitronaphthalene carrying a nitro group at position 2.


name: 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]acetic acid methyl ester


PHASEOLLIDIN

A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 9 and a prenyl group at position 10.


rhodamine 6G(1+)

A cationic fluorescent dye derived from 9-phenylxanthene.


homoisoflavonoid

Any  homoflavonoid  characterized by addition of an extra carbon atom to the C6-C3-C6 backbone of the isoflavonoid skeleton.


hydroxyflavonoid

Any flavonoid in which one or more ring hydrogens are replaced by hydroxy groups.


parfumine

A benzylisoquinoline alkaloid isolated from Fumaria vaillantii and Fumaria parviflora.


name: 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid methyl ester


pyrimidopyrimidine

An organic heterobicyclic compound with a skeleton consisting of two pyrimidine rings that are ortho-fused to each other at any position.


Alexa Fluor 514 para-isomer

The 6-succinimidyloxycarbonyl isomer of Alexa Fluor 514.


perquinoline

A benzyltetrahydroisoquinoline ortho-fused with a gamma-lactam ring synthesized by the prq gene cluster in Streptomyces sp..


name: cyclopropanecarboxylic acid [5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenyl] ester


name: 4-[[1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester


FluorX

A  xanthene  dye of absorption wavelength 494 nm and emission wavelength 520 nm, derived from fluorescin.


A neolignan isolated from the stems of Sinocalamus affinis.


naphthyridine derivative

Any organonitrogen heterocyclic compound that is a derivative of a naphthyridine.


ciguatoxin IJKLM cyclic acetal

A polycyclic ether comprising a linear sequence of sequence of five trans-fused oxacycles and one spiro-fused tetrahydrofuran ring.


1-naphthyl beta-D-glucoside

A beta-D-glucoside that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen has been replaced by a 1-naphthyl group.


name: 4-[[[(1-ethyl-2-oxo-6-benzo[cd]indolyl)amino]-oxomethyl]amino]benzoic acid ethyl ester


(-)-GALLOCATECHIN

A a gallocatechin that has (2S,3R)-configuration.


name: N-(4-chlorophenoxy)sulfonylcarbamic acid [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl ester


name: 6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester


A  neolignan isolated from the stems of Sinocalamus affinis.


BENZOTRIAZOLE

The simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring.


A xanthene dye that is fluorescein bearing two fluoro substituents at positions 2' and 7'.


asperparaline A

An alkaloid isolated from Aspergillus aculeatus.


anthracenol

A member of the class of  anthracenes in which the anthracene ring system is substituted by one or more hydroxy groups at unspecified positions.


naphthochromene

An organic heterotetracyclic compound resulting from the formal fusion of a naphthalene with a chromene.


A  dinitronaphthalene carrying nitro groups at positions 1 and 5.


name: 4-chloro-3-(trifluoromethyl)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


cinnolines

Any  organic heteropolycyclic compound based on the 1,2-diaza analogue of naphthalene and its substituted derivatives.


A spirocyclic epoxide arising from epoxidation of (1R,4R)-4-isopropenyl-1-methyl-2-methylidenecyclohexane


ceratamine B

An organic heterobicyclic compound, which is imidazo[4,5-d]azepin-5(6H)-one substituted by a 3,5-dibromo-4-methoxybenzyl group at position 4 and a methylamino group at position 2. It is an antimitotic alkaloid isolated from the marine sponge Pseudoceratina.


(R,R)-hydrindane

A trans-hydrindane with (R,R)-configuration.


name: 2-[(3-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid methyl ester


name: 3-fluoro-7-methyl-2-imidazo[1,2-a]pyridinecarboxylic acid methyl ester


indolobenzazepine

An organic heterotetracyclic compound that consists of an indole moiety ortho-fused to any benzazepine.


A ring assembly that consists of robinetinidol attached to a (+)-catechin unit resulting in a bond between C-4 of the pyran ring and C-8 of the benzopyran ring. It is isolated from Acacia mearnsii.


benzoxazocine

An organonitrogen heterocyclic compound that consists of a benzene ring ortho-fused at any position to an oxazocine ring.


6-methoxy indan-5-ol

A member of the class of indanes that is indan-5-ol substituted by a methoxy group at position 6.


name: 1,3-benzothiazole-6-carboxylic acid [2-(2-furanyl)-2-oxoethyl] ester


LAUDANIDINE

The (S)-enantiomer of laudanine


indol-3-ylacetaldehyde oxime

An aldoxime resulting from the formal condensation of the aldehyde moiety of indol-3-ylacetaldehyde with hydroxylamine.


A flavonolignan isoalted from Mimosa diplotricha.


name: 2-[(2-ethyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-yl)oxy]acetic acid methyl ester


name: 3-[[oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester


prochaetoglobosin I

A  cytochalasan alkaloid found in Chaetomium globosum and Chaetomium subaffine.


A methyladenine in which the methyl substituent is located at position 4.


14-NORPSEUROTIN A

An alkaloid that is the 14-nor derivative of pseurotin A. Isolated from Aspergillus sydowii, it exhibits antibacterial, antileishmanial and anticancer activities.


2alpha-hydroxy steroid

A 2-hydroxy steroid in which the hydroxy group at position 2 has an alpha-configuration.


A D-ribityl derivative of pteridine that is a potent inhibitor of riboflavin synthetase.


acridine red 3B free base

A member of the class of xanthenes that is 3-imino-3H-xanthen-6-amine in which both nitrogens are carrying methyl substituents. The hydrochloride is the biological dye 'acridine red 3B'.


Any dihydroxypteridine in which the two hydroxy substituents are located at positions 2 and 4.


17alpha-estradiol 3-glucosiduronic acid

A steroid glucosiduronic acid that is 17alpha-estradiol having a single beta-D-glucuronic acid residue attached at position 3.


26-hydroxy steroid

Any hydroxy steroid in which a hydroxy group is located at position 26.


CEPHAPIRIN SODIUM

The sodium salt of cephapirin. A first-generation cephalosporin antibiotic, it is effective against gram-negative and gram-positive organisms. Being more resistant to beta-lactamases than penicillins, it is effective agains most staphylococci, though not methicillin-resistant staphylococci.


name: acetic acid (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ester


isoquinolinone

An isoquinoline containing one or more oxo groups.


PEDUNCULOSUMOSIDE F

A homoflavonoid glycoside that is ophioglonol attached to beta-D-glucopyranosyl residues at positions 7 and 4' respectively via glycosidic linkages. It has been isolated from the whole plants of Ophioglossum pedunculosum.


deacetylcephalosporin C

A 3-hydroxymethylcephalosporin having a (5-amino-5-carboxypentanoyl)amino group at the 7-position.


triazolothiadiazole

Any organic heterobicyclic compound containing ortho-fused triazole and thiadiazole rings.


A 4-hydroxy steroid that consists of 17beta-estradiol bearing an additional 6alpha-hydroxy substituent.


vinylnaphthalene

A vinylarene that is  naphthalene substituted by a vinyl group at unspecified position. A "closed class".


pregnane ester

Any steroid ester based on a pregnane skeleton.


An organic heterotetracyclic compound that is 2,3,3a,4,5,6-hexahydropyrazino[3,2,1-jk]carbazole carrying a cyclohexyl substituent at position 8.


name: 22E,24R-3beta, 5alpha ,6alpha-trihydroxyergosta-7, 22-diene


name: 4-(difluoromethoxy)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: 4-(trifluoromethyl)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: 5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester


A 17-membered macrocyclic lactam that incorporates a phenol and a substituted indole moiety. It includes a S-hydroxy group at position 11 and a (3-methyl-2-oxopentanoyl)amino group at position 18 with a S-methyl group. It acts as a proteasome inhibitor and is isolated from Apiospora montagnei Sacc. TC 1093, isolated from a soil sample.


SYRINGARESINOL

The (7alpha,7'alpha,8alpha,8'alpha)-stereoisomer of syringaresinol.


biflavonoid

A flavonoid oligomer that is obtained by the oxidative coupling of at least two units of aryl-substituted benzopyran rings or its substituted derivatives, resulting in the two ring systems being joined together by a single atom or bond.


A tetrahydrofolyl-poly(glutamic acid) macromolecule in which the glutamic acid residues all have L-configuration.


A 2-demethylmenaquinol having a side chain composed of seven isoprenoid units.


glyceollin IV

A member of the class of pterocarpans carrying two hydroxy substituents at positions 6a and 9 as well as prenyl and methoxy substituents at positions 2 and 3 respectively.


name: 4-[oxo-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methyl]-1-piperazinecarboxylic acid ethyl ester


L-tryptophan 2-naphthylamide

An L-tryptophan derivative that is the amide obtained by formal condensation of the carboxy group of L-tryptophan with the amino group of 2-naphthylamine.


calixresorcarenes

Compounds containing a calixresorcarene skeleton.


A  neolignan isolated from the stems of Sinocalamus affinis.


A menaquinol whose structure comprises a 2-methylbenzohydroquinone nucleus and a side chain of thirteen isoprenoid units.


RATANIAPHENOL II

A member of the class of benzofurans that is 1-benzofuran substituted by a 4-hydroxyphenyl group at position 2, a methyl group at position 3 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea.


name: 1H-indazole-3-carboxylic acid [2-(4-nitroanilino)-2-oxoethyl] ester


A hydroxyflavan  that is 3,4-dihydro-2H-chromene which is substituted at positions 3, 5, and 7 by hydroxy groups, and at position 2 by a 3,4,5-trihydroxyphenyl group.


histrionicotoxin

An azaspiro compound that is 1-azaspiro[5.5]undecane substituted by a hydroxy group at position 8, a but-1-en-3-yn-1-yl group at position 7 and a pent-3-en-1-yn-5-yl group at position 2 (the 2S,6R,7S,8S stereoisomer).


The [4,5-b]-fused isomer of imidazopyridine.


SANDWICENSIN

A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by a hydroxy group at position 3, a methoxy group at position 9 and a prenyl group at position 10. Isolated from  Erythrina glauca and Erythrina stricta, it exhibits anti-HIV-1 activity.


A polyprenylhydroquinone that is menaquinol-6 in which the hydrogen at position 8 on the naphthoquinone ring has been replaced by a methyl group.


Compound 8 in ref.


biapenem

A carbapenem antibiotic in which the azetidine and pyrroline rings carry 1-hydroxymethyl and pyrazolo[1,2-a][1,2,4]triazolium-6-ylthio substituents respectively.


PIPERLACTAM S

An organic heterotetracyclic compound that is dibenzo[cd,f]indol-4(5H)-one carrying two methoxy substituents at positions 1 and 5 as well as a hydroxy substituent at position 2.


The (6aR,11aR)-enantiomer of pterocarpan.


pyrazolopyrazole

Any organic heterobicyclic compound class containing two ortho-fused pyrazole rings.


DIONCOPHYLLINE A

An isoquinoline alkaloid that is the biaryl resulting from substitution of the hydrogen at the 7-position of (1R,3R)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol by a 4,5-dimethoxy-2-methylnaphthalen-1-yl group. It is a naphthylisoquinoline alkaloid isolated from the roots and stem barks of  Triphyophyllum peltatum and exhibits antifungal, antimalarial, antineoplastic and molluscicidal activites.


A dimethylnaphthalene carrying methyl groups at positions 1 and 3.


(-)-Epicatechin

A catechin with (2R,3R)-configuration.


An indole alkaloid that is the 9-methoxy derivative of canthin-6-one. Isolated from Eurycoma longifolia and Simaba multiflora, it exhibits cytotoxic activity towards human cancer cell lines.


A  flavonolignan isolated from the stems of Sinocalamus affinis.


A fluorescein compound having chlorine substituents in the 2'-, 4-, 7- and 7'-positions and a succinimidyloxycarbonyl substituent at the 6-position.


A member of the class of benzimidazoles that is 1H-benzimidazole carrying a single hydroxy substituent at position 5.


name: 4-(1H-indol-3-yl)butanoic acid [2-(3-methoxyanilino)-2-oxoethyl] ester


name: 4-[[2-(4-methyl-1-piperidinyl)-1,3-benzothiazol-6-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester


12-epi-hapalindole U

A tetracyclic hapalindole that is hapalindole U in which the carbon bearing the vinyl group has S configuration instead of R. It is produced by the Stigonematales genus of cyanobacteria.


name: 9H-xanthene-9-carboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester


An indole phytoalexin that is camalexin in which the hydrogen at position 6 on the indole fragment has been replaced by a methoxy group.


name: 2-(3-thiophenyl)acetic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester


A menaquinol whose structure comprises a 2-methylbenzohydroquinone nucleus and a side chain of eight isoprenoid units.


angelitriol

A member of the class of coumarins that is 7-methoxycoumarin in which the hydrogen at position 6 has been replaced by a 1,2,3-trihydroxy-3-methylbutyl group (the 1R,2S stereoisomer). Originally isolated from the roots of Angelica pubescens, angelitriol shows strong inhibitory effects on human platelet aggregation.


name: 3-[[2-(2-furanylmethyl)-3-oxo-1H-isoindol-1-yl]amino]benzoic acid ethyl ester


repotrectinib

An azamacrocycle with formula C18H18FN5O2. It is a tyrosine kinase inhibitor (highly potent against ROS1, TRKA-C, and ALK) used for the treatment of locally advanced or metastatic ROS1-positive non-small cell lung cancer.


scopoletin + 248 Da

R=248 Da


amaryllisine

An isoquinoline alkaloid that is 3,4,4a,5,6,10b-hexahydro-5,10b-ethanophenanthridin-9-ol bearing three additional methoxy substituents at positions 3, 7 and 8.


isobrucine N-oxide

A monoterpenoid indole alkaloid with formula C23H26N2O5, originally isolated from the seeds of Strychnos nux-vomica.


cytoglobosin D

A cytochalasan alkaloid found in Chaetomium globosum.


LESPEFLORIN G10

A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 9, a methyl group at position 8 and a prenyl group at position 10. Isolated from the roots of Lespedeza floribunda, it acts as a melanin synthesis inhibitor.


intermediate I

A four-electron reduction will result in CHEBI:9260


A cis-1,2-dihydroxy-1,2-dihydro-7-methylnaphthalene that has 1S,2R-configuration.


trichodermin

A tetracyclic spiroepoxide which acts as an antifungal and protein synthesis inhibitor.


Z-Leu-Leu-Glu-AMC

A tripeptide that is L-leu-L-leu-L-Glu with a Cbz group at the N-terminal and a 7-amino-4-methylcoumarin group at the C-terminal. It is a fluorogenic substrate for measuring the peptidylglutamyl peptide-hydrolyzing activity of the 20S proteasome.


EPIAFZELECHIN (2R,3R)(-)

A catechin derivative having (2R,3R)-configuration.


name: 2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester


notoamide

Any member of the class of indole alkaloids isolated from a marine-derived Aspergillus fungus and derived from proline, tryptophan and one or two isoprene units. They are closely related to  brevianamides,  paraherquamides,  marcfortines,  asperparalines and stephacidins.


purine nucleobase

A nucleobase whose skeleton is derived from purine.


A linear-fused organic heterotetracyclic compound consisting of a [1,3,2]dioxaphosphinane fused to a pyran ring which is in turn fused to a pteridine ring system.


N-acetylisatin

An indoledione consisting of isatin carrying an N-acetyl substituent.


name: 2-thiophenecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester


name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester


xyloketal A

A xyloketal with formula C27H36O6. It was initially isolated from the mangrove fungus Xylaria sp. from the South China sea coast.


primapterin

A member of the class of biopterins that consists of pterin bearing amino, oxo and 1,2-dihydroxypropyl substituents at positions 2, 4 and 7 respectively.


name: 1-[[5-bromo-1-[cyclopropyl(oxo)methyl]-2,3-dihydroindol-7-yl]sulfonyl]-4-piperidinecarboxylic acid ethyl ester


taiwanhomoflavone-B

A biflavonoid isolated from  Cephalotaxus wilsoniana and has been shown to exhibit antineoplastic activity.


2-naphthyl sulfate

An aryl sulfate that is naphthalene in which the hydrogen at position 2 is replaced by a sulfooxy group.


name: 8-fluoro-4H-thieno[3,2-c][1]benzopyran-2-carboxylic acid methyl ester


chaetoglobosin C

A  cytochalasan alkaloid found in Chaetomium globosum and Chaetomium subaffine.


name: N-[2-(1-tert-butyl-3,4,6-trimethyl-5-pyrazolo[3,4-b]pyridinyl)ethyl]carbamic acid ethyl ester


An organic heterotetracyclic compound obtained by intramolecular formation of a C-C bond between positions 8 and 5' of 2'-deoxyguanosine.


name: 2-methylpropanoic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester


A triol obtained by sequential periodate-oxidation and borohydride-reduction of guanosine.


tetrahydrofolic acid

A group of heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with one or more L-glutamic acid units.


A chromenol that is 2-(3,4-dihydroxyphenyl)-4H-1-benzopyran carrying four additional hydroxy substituents at positions 3, 4, 5 and 7.


dehydroisoandrosterone 3-glucuronide

A steroid glucosiduronic acid having dehydroepiandrosterone as the steroid component.


scopoletin O-sulfo-hexoside

R1=hexoside; R2=sulfate


biopterin

A pterin derivative that consists of pterin bearing amino, oxo and 1,2-dihydroxypropyl substituents at positions 2, 4 and 6 respectively. The parent of the class of biopterins; the L-erythro isomer occurs widely in nature.


neoflavan

The simplest member of the class of neoflavans, that is 3,4-dihydro-2H-1-benzopyran substituted by a phenyl group at position 4.


A member of the class of indoles that is 1H-indole carrying isothiocyanatomethyl and methoxy substituents at positions 3 and 4 respectively.


hydroxy homoflavonoid

Any homoflavonoid substituted by one or more hydroxy groups at unspecified positions.


A steroid comprising androstane having a C=C double bond at the 16(17)-position.


ANANOLIGNAN C

A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.


The 5beta-stereoisomer of androstane.


name: 2-[[(2-chlorophenyl)thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester


cephamycin

Any member of the cephamycin sub-group of cephem antibiotics, differing from cephalosporins in possessing a methoxy group at the 7alpha-position of the cephem nucleus, and in being resistant to beta-lactamase.


An organic heterotetracyclic compound that is 7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indole substituted at positions 6 and 9 by oxo and bromo groups respectively.


A pteridine that is lumazine substituted by methyl and oxo groups at C-6 and -7 respectively as well as a 1-D-ribityl group on N-8.


GM3 lactam

A lactam obtained via formal condensation of the carboxy group of an N-acetylneuraminyl residue and the amino group of the adjacent galactosamine residue in the ganglioside (2S,3R,4E)-3-hydroxy-2-(stearoylamino)octadec-4-en-1-yl N-acetylneuraminyl-(2->3)-beta-D-galactosaminyl-(1->4)-beta-D-glucoside.


aminocoumarin

Any coumarin carrying at least one amino substituent.


A member of the class of pterocarpans carrying three hydroxy substituents at positions 3, 6a and 9.


An indole alkaloid that is the 1-methoxy derivative of canthinone. Isolated from Ailanthus altissima and Leitneria floridana, it exhibits anti-HIV activity.


tetrahydrosulfopterin

pteridine coenzyme found in S. solfataricus


An isoquinoline alkaloid having a tetrahydroisoquinoline core with 3,4-dihydroxybenzyl, methoxy and hydroxy groups at the 1-, 6- and 7-positions respectively; major species at pH 7.3.


cholestane conjugate

Any cholestanoid where the cholestane is conjugated.


name: 1H-imidazole-5-carboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


carboxynaphthofluorescein

A naphthofluorescein compound having a carboxy substituent in an unspecified position.


ciguatoxin JKLM ring fragment

A polycyclic ether comprising a central oxepine ring flanked by two fused tetrahydropyran rings together with a spiro-fused tetrahydrofuran ring. Corresponds to the JKLM ring fragment and epitope of ciguatoxin.


An isochromane that is 3,4-dihydroisocoumarin with a butyl substituent at position 7, hydroxy substituents at positions 6 and 8 and a 3E-pent-3-en-1-yl group at position 3. It is isolated from an endophytic fungus, Geotrichum.


HAPALINDOLE U

A hapalindole that is hapalindole H in which the octahydronaphthalene ring junction carbons both have S configuration instead of R.


The pteridine that is lumazine substituted with methyl groups at C-6 and -7 and with a 1-D-ribityl group on N-8.


luteoliflavan

A tetrahydroxyflavan in which the four hydroxy groups are located at positions 3', 4', 5 and 7.


A polyprenylnaphthohydroquinone that is naphthalene-1,4-diol having a polyprenyl substituent of unspecified chain-length at the 2-position.


A pyrazolopyrimidine that is alloxanthine which is substituted at positions 2, 3, 5, and 7 by 1-naphthylmethyl, 4-pyridyl, methyl, and isobutyl groups, respectively.


beta-alanyl-tryptaminium

A beta-alanine derivative that is the amide obtained by formal condensation of the carboxy group of beta-alanine with the primary amino group of tryptamine; major microspecies at pH 7.3.


laudanine

A benzyltetrahydroisoquinoline that is norlaudanosoline carrying four methyl substituents at positions N-1, O-6, O-7 and O-4'.


name: 2-(6-methyl-3-benzofuranyl)acetic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester


oxaspiro compound

A spiro compound in which at least one of the cyclic components is an oxygen heterocyle.


name: 2-[[3-methyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]thio]propanoic acid methyl ester


thiotropocin

A thiocarbonyl compound that is 3,8-dihydrocyclohepta[c][1,2]oxathiole substituted at positions 3, 4 and 8 by oxo, hydroxy, and thiocarbonyl groups, respectively. It is an antibiotic first isolated in 1984 from the fermentation broth of Pseudomonas sp. CB104.


name: 2-[[7-(3-chlorobut-2-enyl)-3-methyl-2,6-dioxo-8-purinyl]thio]butanoic acid ethyl ester


trans-decalin

The trans-stereoisomer of decalin.


afzelechin

A tetrahydroxyflavan that is  (2S)-flavan substituted by hydroxy groups at positions 3, 5, 7 and 4' respectively.


thienopyridine

Any organic heterobicyclic compound whose skeleton results from the formal ortho-fusion of any bond of a pyridine with any bond of a thiophene.


name: 1-butyl-2,4-dioxo-7-thiophen-2-yl-5-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester


7beta-hydroxy steroid

A 7-hydroxy steroid in which the hydroxy group at position 7 has beta-configuration.


bile alcohol glucuronide

A glucuronic acid compound having a bile alcohol substituent at the anomeric position.


Any purine bearing an alkylamino substituent at the 6-position.


name: 2-(1-oxopropylamino)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester


A methylhypoxanthine that is hypoxanthine with the methyl group at position 7.


name: butanethioic acid S-[4-[(6S,10bR)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-6-yl]phenyl] ester


A 16beta-hydroxy steroid that is estra-1,3,5(10)-trien-16beta-ol substituted by a methoxy group at position 3.


paerucumarin

A hydroxycoumarin that is coumarin substituted by an isocyano group at position 3 and hydroxy groups at positions 6 and 7.


(-)-dihydroedulan II

An organic heterobicyclic compound that is 3,4,4a,5,6,8a-hexahydro-2H-1-benzopyran substituted by methyl groups at positions  2, 5, 5 and 8a respectively.


medicarpin

A member of the class of pterocarpans that is 3-hydroxyptercarpan with a methoxy substituent at position 9.


aminopurine

Any purine having at least one amino substituent.


rhodamine 110(1+)

A cationic fluorescent dye derived from 9-phenylxanthene.


A thienopyrimidine that is thieno[2,3-d]pyrimidine which is substituted at position 4 by a benzylsulfanediyl group.


A pteridine that is lumazine substituted with a 4-hydroxybutyl group at position 8 and a methyl group at position 6; one of 20 modifications to the potent microbial riboflavin-based metabolite antigen 5-(2-oxopropylideneamino)-6-D-ribityl aminouracil (5-OP-RU), an activator of mucosal-associated invariant T (MAIT) cells when presented by the MR1 protein (reported in MED:32123373).


PISONIN A

A member of the class of chromones that is chromone substituted by a hydroxy group at position 5 and methoxy groups at positions 6 and 7 respectively. It has been isolated from Pisonia aculeata.


3,7-dimethyluric acid

An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trione substituted by methyl groups at N-3 and N-7.


A pteridine that is lumazine substituted with a 1,4-dideoxy-1-D-ribityl group at position 8 and a methyl group at position 6; one of 20 modifications to the potent microbial riboflavin-based metabolite antigen 5-(2-oxopropylideneamino)-6-D-ribityl aminouracil (5-OP-RU), an activator of mucosal-associated invariant T (MAIT) cells when presented by the MR1 protein (reported in MED:32123373).


name: 3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester


carbobicyclic compound

A bicyclic compound in which all the ring atoms are carbon.


name: 4-(trifluoromethoxy)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: N-(3-methyl-4-oxo-1-benzopyran-2-yl)carbamic acid ethyl ester


name: 2-thiophenecarboxylic acid 4-[[5-(2-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: 2-amino-7-cyclohexyl-6,8-dioxo-4,5,5a,8a-tetrahydrothieno[2,3-e]isoindole-3-carboxylic acid ethyl ester


L-asparagine 2-naphthylamide

An L-asparagine derivative that is the amide obtained by formal condensation of the carboxy group of L-asparagine with the amino group of 2-naphthylamine.


name: 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester


A pteridine that is lumazine substituted with a 4-hydroxybutyl group at position 8 and a methyl group at position 7; one of 20 modifications to the potent microbial riboflavin-based metabolite antigen 5-(2-oxopropylideneamino)-6-D-ribityl aminouracil (5-OP-RU), an activator of mucosal-associated invariant T (MAIT) cells when presented by the MR1 protein (reported in MED:32123373).


name: 4-bromobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: 5-bromo-3-pyridinecarboxylic acid [3-(2-naphthalenyloxy)-4-oxo-1-benzopyran-7-yl] ester


penams

Natural and synthetic antibiotics containing the 4-thia-1-azabicyclo[3.2.0]heptan-7-one structure, generally assumed to have the 5R configuration unless otherwise specified.


monosodium urate

Monosodium urate (MSU) or uric acid is the aetiological agent of the acute inflammatory condition gout.


(R)-tetrindole

An 8-cyclohexyl-2,3,3a,4,5,6-hexahydropyrazino[3,2,1-jk]carbazole that is the (R)-enantiomer of tetrindole.


steroid acid

Any steroid substituted by at least one carboxy group.


name: 3-fluorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


A menaquinol whose structure comprises a 2-methylbenzohydroquinone nucleus and a side chain of twelve isoprenoid units.


furofuran

Organic heterobicyclic compounds containing a two furan rings ortho-fused to each other.


benzodiazepine alkaloid

Any  alkaloid based on a benzodiazepine skeleton and its substituted derivatives.


A hydroxycoumarin that is 4-hydroxycoumarin which is substituted at position 3 by a 4-azidobenzyl group. It is a photoaffinity probe used in the identification of warfarin-binding proteins present in mammalian tissue.


An indan-1-ol in which the carbon bearing the hydroxy group has S configuration.


A member of the class of pteridines that is lpteridine-4,7(3H,8H)-dione carrying additional amino, 1-hydroxypropyl and methyl substituents at positions 2, 6 and 8.


oxa-steroid

A steroid where in the carbon skeleton a carbon atom is replaced by oxygen.


furopyridine

An organic heterobicyclic compound whose skeleton consists of a furan ring ortho-fused to a pyridine ring.


cichorine

A member of the class of isoindoles that is 6-hydroxy-4-methoxy-5-methyl-2,3-dihydro-1H-isoindol-1-one which is substituted at position 4, 5, and 6 by methoxy, methyl, and hydroxy groups, respectively. A secondary metabolite found in Aspergillus silvativus, Aspergillus nidulans and Alternaria cichorii, it is poisonous to Russian knapweed (Acroptilon repens).


name: 2-[4-[(4-chlorophenyl)-oxomethyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic acid methyl ester


A steroid glucosiduronic acid comprising 11alpha-hydroxyprogesterone having a beta-Dglucosiduronic acid residue attached to the 11-hydroxy group via a glycosidic linkage.


A cis-1,2-dihydronaphthalene-1,2-diol with a (1S,2R)-configuration.


A member of the class of phenols that is indan which has been hydroxylated at position 5.


A menaquinol whose structure comprises a 2-methylbenzohydroquinone nucleus and a side chain of four isoprenoid units.


A member of the class of napthalenes that is naphthalene which is substituted by an isopropyl group at positions 2 and 6. It is a plant growth regulator which inhibits the sprouting of potatoes during storage.


dimethylnaphthalene

Any member of the class of  naphthalenes carrying two methyl groups at unspecified positions.


name: (1,3-benzoxazol-2-ylthio)formic acid hexyl ester


dihydrozeatin

A 6-alkylaminopurine that is 7H-purin-6-amine where one of the hydrogens of the amino group is replaced by a 4-hydroxy-3-methylbutyl group. It is an intermediate in the zeatin biosynthesis.


magnoshinin

A  neolignan  that consists of 1,2-dihydronaphthalene substituted by a 2,4,5-trimethoxyphenyl group at position 1 (the 1S,2R stereoisomer), methyl groups at positions 2 and 3, and methoxy groups at positions 5, 7 and 8 respectively.


tatiopterin

A pterin derivative that is an aspartyl derivative of sarcinapterin with a 7-proton instead of a 7-methyl group in the methanopterin moiety.


carbotricyclic compound

A carbopolyclic compound comprising of three carbocyclic rings.


A derivative of 17alpha-estradiol having beta-glucosiduronic acid and N-acetyl-beta-D-glucosaminyl groups attached at the 3- and 17-positions respectively.


N-(hydroxymethyl)phthalimide

A primary alcohol comprising phthalimide carrying an N-hydroxymethyl substituent.


name: 8-Hydroxygalangin 7-methyl ether 8-butyrate


name: 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid (4-methylcyclohexyl) ester


A tetramethylrhodamine compound having a carboxy substituent at the 5-position


glycine 2-naphthylamide

A glycine derivative that is the amide obtained by formal condensation of the carboxy group of glycine with the amino group of 2-naphthylamine.


name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester


name: 5-[(5-methoxycarbonyl-2-methyl-3-furanyl)methoxy]-2-methyl-3-benzofurancarboxylic acid methyl ester


carbacephem

Any member of a group of synthetic antibiotics, similar to cephems but with carbon substituted for the sulfur; all possessing an acylated amine functionality at C-6 and (S,R) stereochemistry at C-6 and C-7.


TRYPTOPHOL

An indolyl alcohol that is ethanol substituted by a 1H-indol-3-yl group at position 2.


A member of the class of quinolines that is 7-methoxyquinoline substituted at position 4 by a (6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy group. AMG exhibits antitumour activity, particularly in prostate cancer.


pyrimidopyridazine

Any organic heterobicyclic compound containing ortho-fused pyrimidine and pyridazine rings.


Delta(14) steroid

Any steroid that contains a double bond between positions 14 and 15.


oregon green 488

A xanthene dye having two fluoro substituents at the 2- and 7-positions and a 2,4-dicarboxyphenyl group at the 9-position.


(S)-tetrahydropapaverine

The S-enantiomer of tetrahydropapaverine.


A  sulfonamide that is 4-methylbenzenesulfonamide in which one of the hydrogens attached to nitrogen atom is replaced by a 2-(1,3-benzoxazol-2-yl)phenyl group.


C3-oxacyanine cation

The cationic form of a C3 cyanine dye having 3-ethyl-1,3-benzoxazol-2(3H)-yl units at each end.


The pteridine that is lumazine substituted with a methyl group at C-6, a hydroxy group at C-7 and a 1-D-ribityl group at N-8.


SPIROTRYPROSTATIN B

An indole alkaloid isolated from a marine-derived fungal strain Aspergillus sydowii PFW1-13 and has been shown to exhibit cytotoxic activity.


biindole alkaloid

An alkaloid containing a biindole skeleton.


(6S)-10-formyltetrahydrofolic acid

A 10-formyltetrahydrofolic acid that has S-configuration at position 6.


loracarbef anion

The conjugate base of loracarbef.


dihydroisocoumarins

Any member of the class of  isochromanes that is based on the skeleton of 3,4-dihydroisocoumarin and its substituted derivatives thereof.


1,3,7-trimethyl-5-hydroxyisouric acid

A member of the class of oxopurines that is 5-hydroxyisouric acid carrying three additional methyl substituents at positions 1, 3 and 7.


alamarine

A member of the class of isoquinolinonaphthyridines that is 5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-one bearing additional hydroxy, methoxy and 1-hydroxyethyl substituents at positions 2, 3 and 12.


lenampicillin

A penicillanic acid ester that is the (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester of ampicillin. It is a prodrug of ampicillin.


name: 1-(2-methyl-4-benzofuro[3,2-d]pyrimidinyl)-3-piperidinecarboxylic acid ethyl ester


name: 1,3-benzothiazole-6-carboxylic acid [2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester


dihydrophenanthrene

Any member of the class of  phenanthrenes that is the dihydrogenated derivative of phenanthrene and its substituted derivatives.


name: 1-butyl-2-[2-furanyl(oxo)methyl]imino-10-methyl-5-oxo-3-dipyrido[3,4-c:1',2'-f]pyrimidinecarboxylic acid ethyl ester


dihydronaphthalenes

Any carbobycyclic compound that is a dihydronaphthalene or a compound obtained from a dihydronaphthalene by formal substitution of one or more hydrogens.


lipoprotein cholesterol

Cholesterol esters and free cholesterol which are contained in or bound to lipoproteins.


A member of the class of benzofurans that is 1-benzofuran substituted by a 4-hydroxyphenyl group at position 2 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea.


DAEDALIN A

A chromenol that is 2H-chromen-6-ol substituted at position 2 by a hydroxymethyl and a methyl group ( the 2R stereoisomer). Isolated from the mycelial culture broth of Daedalea dickinsii, it exhibits tyrosinase inhibitory and radical scavenging activities.


leucoanthocyanidin

A hydroxyflavan with hydroxy groups at positions 3 and 4. Further oxygenation may be present at other ring positions. They are considered as derivatives of anthocyanidin and hence are termed leucoanthocyanidin.


norbornane

A cyclic hydrocarbon consisting of cyclohexane with a methylene bridge linking positions 1 and 4.


tetrahydroxyflavan

Any hydroxyflavan containing 4 hydroxy groups.


carbopolycyclic compound

A polyclic compound in which all of the ring members are carbon atoms.


indoloquinoline

An organic heterotetracyclic compound that is any indole fused to a quinoline ring.


name: 3-(trifluoromethyl)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


NB-ACETYLTRYPTAMINE

A tryptamine compound having an acetyl substituent attached to the side-chain amino function.


acanthicifoline

A 2,7-naphthyridine derivative that is 1,4-dihydro-2,7-naphthyridin-3(2H)-one which is substituted at positions 1 and 5 by methyl and methoxy groups, respectively.


nororientaline

An isoquinoline alkaloid consisting of a tetrahydroisoquinoline core with 4-hydroxy-3-methoxybenzyl, methoxy and hydroxy substituents at positions 1, 6 and 7 respectively; major species at pH 7.3.


bridged compound

A polycyclic compound that contains more than one ring with at least two common atoms (also known as bridgehead carbons) that are not adjacent to each other.


11beta-hydroxy steroid

Any 11-hydroxy steroid in which the hydroxy group at position 11 has beta- configuration.


name: 2-methyl-1-phenyl-5-benzimidazolecarboxylic acid [2-(2-methoxyanilino)-2-oxoethyl] ester


pisonin F

A member of the class of chromones that is chromone substituted by hydroxy groups at positions 5 and 7 and a methyl group at position 8. It has been isolated from Pisonia aculeata.


Any hydroxyflavan containing a 3-hydroxy group and having 2S,3S stereochemistry.


name: trans-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid ethyl ester


ALAZANINE

The cationic form of a C3 cyanine dye having 3-ethyl-1,3-benzothiazol-2(3H)-yl units at each end.


name: 2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxy]propanoic acid methyl ester


C-2'-decoumaroyl-aloeresin G

A member of the class of chromones that is chromone substituted by a methoxy group at position 7, a methyl group at position 5, a propenyl group at position 2 and a  beta-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage. It has been isolated from Aloe vera.


FLIDERSIACHROMONE

A member of the class of chromones that is chromone which is substituted by a 2-phenylethyl group at position 2. It is found in agarwood, a fragrant resinous heartwood obtained from certain trees in the genus Aquilaria.


name: 2-furancarboxylic acid (7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-9-yl) ester


thiopyranopyrimidine

Any organic heterobicyclic compound containing ortho-fused thiopyran and pyrimidine rings.


A fatty alcohol that is 1-hexanol substituted by a [5]-ladderane at position 6.


chromenochromene

Any organic heteroolycyclic compound whose skeleton two ortho-fused chromene rings, and their derivatives.


A lignan that consists of tetrahydro-1H,3H-furo[3,4-c]furan substituted by 3,4,5-trimethoxyphenyl and a 4-hydroxy-3,5-dimethoxyphenyl group at positions 4 and 1 respectively. It has been isolated from the stems of Sinocalamus affinis.


5-hydroxyisouric acid

An oxopurine that is 5,7-dihydro-1H-purine-2,6,8(9H)-trione in which the hydrogen at position 5 is substituted by a hydroxy group.


A member of the class of  dihydroisocoumarins that is  hydrangenol attached to a  3-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage. It has been isolated from the roots of Scorzonera judaica.


TIGOGENIN

A widely used steroidal sapogenin isolated from several plant species and used for synthesizing steroid drugs.


(6R)-5,10-methenyltetrahydrofolic acid

The 5,10-methenyl derivative of tetrahydrofolic acid arising from enzymatic cyclisation of 5-formyltetrahydrofolic acid.


name: Deschloro 12-epi-fischerindole I nitrile


heliamine

An isoquinoline that is 1,2,3,4-tetrahydroisoquinoline substituted by methoxy groups at positions 6 and 7.


The epoxy steroid formed from cholest-5-ene by formal addition of oxygen across the 5,6 double bond with alpha-configuration at both C-5 and C-6.


tetrahydrochromenochromene

Any chromenochromene resulting from the formal cis-fusion of two dihydro chromene rings, together with their substituted derivatives.


robinetinidol

A pentahydroxyflavan that is (2S)-flavan substituted by hydroxy groups at positions 3, 7, 3', 4' and 5'. Isolated from Acacia mearnsii, it exhibits inhibitory activity against alpha-amylase and lipase.


aspernidine A

A member of the class of isoindoles that is isoindolin-1-one which is substituted at positions 4, 5 and 6 by hydroxy, triprenyloxy and methoxy groups, respectively. The alkaloid was isolated from the model fungus Aspegillus nidulans.


name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3,4-dioxo-1-cyclobutenyl]-4-piperidinecarboxylic acid ethyl ester


C5-oxacyanine cation

The cationic form of a C5 cyanine dye having 3-ethyl-1,3-benzoxazol-2(3H)-yl units at each end.


FluorX 5-isomer

The 5-isomer of FluorX.


The cis-1,2-dihydronaphthalene-1,2-diol with a (1R,2S)-configuration.


name: 2-[6-amino-5-cyano-4-(4-ethylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetic acid methyl ester


alangimarine

A member of the class of isoquinolinonaphthyridines that is 5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-one bearing additional hydroxy, methoxy and vinyl substituents at positions 2, 3 and 12 respectively.


scopoletin pentosyl-hexoside

R1=hexoside; R2=pentoside


name: 3-pyridinecarboxylic acid 2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]ethyl ester


flavan glycoside

A member of the class of  flavans having one or more glycosyl residues attached at unspecified positions.


(S,R,R,R)-nebivolol

A 2,2'-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol] that has (1R,1'R,2R,2'S)-configuration.


name: 2-thiophenecarboxylic acid [3-(3,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester


name: 5-[2-(6-hydroxy-3-methyl-2-benzofuranyl)-2-oxoethyl]-2-furancarboxylic acid ethyl ester


name: 3-(dimethylaminomethyl)-1-(1 , 1 -dimethyl-2-propenyl)indole


A 17-membered macrocyclic lactam that incorporates a phenol and a substituted indole moiety. It includes a R-hydroxy group at position 11 and a (3-methyl-2-oxopentanoyl)amino group at position at position 18 with a S-methyl group. It acts as a proteasome inhibitor and is obtained from Apiospora montagnei Sacc. TC 1093, isolated from a soil sample.


oxatetracycloalkane

Any organic heterotetracyclic compound where at least one of the specified hetero atoms is oxygen.


A natural product found in Sinocalamus affinis.


TETRAHYDROPAPAVERINE

A benzylisoquinoline alkaloid that is norlaudanosoline in which the four phenolic hydrogens have been replaced by methyl groups.


furopyridazine

Any organic heterobicyclic compound containing ortho-fused furan and pyridazine rings.


fumitremorgin A

An organic heterohexacyclic compound that is a mycotoxic indole alkaloid obtained by prenylation of the 10-hydroxy group of verruculogen.


BIDEBILINE C

An isoquinoline alkaloid that is a dimer of 8-methoxydehydroanonaine. Isolated from the roots of Polyalthia debilis, it exhibits moderate antimalarial activity by inhibiting the growth of the malarial parasite Plasmodium falciparum.


PALLIDOL

A tetracyclic stilbenoid that is a homodimer obtained by cyclodimerisation of resveratrol.


fluorescein 6-isothiocyanate

The 6-isomer of fluorescein isothiocyanate.


naphthalenetriol

A hydroxynaphthalene substituted by at least three hydroxy groups.


flavans

Any flavonoid with a 3,4-dihydro-2-aryl-2H-1-benzopyran skeleton and its substituted derivatives.


A flavonolignan isolated from the stems of natural product found in Sinocalamus affinis.


A cephalosporin having an acetoxy group at the 3-position and a 5-carboxy-5-oxopentanamido group at the 7-position.


dehydrocoformycin

A coformycin derivative in which the hydroxy group on the diazepine ring of coformycin is replaced by an oxo group.


name: 4-[2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester


methoxynaphthalene

Any alkyloxynaphthalene bearing one or more methoxy substituents.


A member of the class of tetrahydropterins that is 2-amino-6-(1,2,3-trihydroxypropyl)-5,6,7,8-tetrahydropteridin-4-one carrying four additional hydroxy substituents at positions 5, 6, 7 and 8.


5-methyldihydrofolic acid

A member of the class of dihydrofolic acids that is dihydrofolic acid carrying a methyl substituent at position 5.


C21-steroid hormone

A steroid compound with a structure based on a 21-carbon (pregnane) skeleton that acts as a hormone.


cephams

Natural and synthetic antibiotics containing the 5-thia-1-azabicyclo[4.2.0]octan-8-one nucleus; generally assumed to have the 6R configuration, unless otherwise specified.


neoflavonoid

Any 1-benzopyran with an aryl substituent at position 4. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds.


A methoxyflavan that consists of (2S)-flavan substituted by hydroxy group at position 2' and methoxy groups at positions 7, 8, 3', 4' and 5' . Isolated from the roots of  Muntingia calabura, it exhibits anticancer activity.


(-)-CATECHIN

The (-)-enantiomer of catechin.


An oxopurine that is adenine bearing two oxo substituents at positions 2 and 8.


name: 4-amino-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester


An organic heterotetracyclic compound obtained by intramolecular formation of a C-C bond between positions 8 and 5' of 2'-deoxyadenosine.


name: 2-(2-naphthalenylsulfonylamino)acetic acid [2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl] ester


ecdysteroid

A class of steroids that include insect moulting and sex hormones.


dechlorocuracomycin

A cyclic peptide found in several Streptomyces, consisting in the six following amino acids: D-valine, D-leucine, L-isoleucine, L-ornithine, L-beta-hydroxyasparagine and L-tryptophan.


decalin

An ortho-fused bicyclic hydrocarbon that is the decahydro- derivative of naphthalene.


methylnaphthalenes

Any naphthalene carrying one or more methyl substituents.


coelenterazine 2-hydroperoxide

A member of the class of oxidized luciferins that is obtained via formal hydroperoxidation at position 2 of Oplophorus luciferin.


(-)-syringaresinol

The (7beta,7'beta,8beta,8'beta)-stereoisomer of syringaresinol.


dyspropterin

A tetrahydropterin  that is 2-amino-5,6,7,8-tetrahydropteridin-4(3H)-one substituted by a 2-oxopropanoyl group at position 6.


Any hydroxyflavan containing a 3-hydroxy group and having 2R,3R stereochemistry.


name: 4-(trifluoromethylthio)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


A member of the class of coumarins that is coumarin in which the hydrogen at position 3 is replaced by an acetyl group.


o-phthalaldehydic acid

A 2-benzofuran having oxo and hydroxy groups at the 1- and 3-positions respectively.


12-epi-fischerindole U

A tetracyclic indole alkaloid that is produced by the Stigonematales genus of cyanobacteria.


17-hydroxy steroid

A hydroxy steroid carrying a hydroxy group at position 17.


(6S)-5,6,7,8-tetrahydrofolic acid

A derivative of folic acid in which the pteridine ring is fully reduced; it is the parent compound of a variety of coenzymes that serve as carriers of one-carbon groups in metabolic reactions.


HOLOMYCIN

A dithiolopyrrolone antibiotic that is 4,5-dihydro[1,2]dithiolo[4,3-b]pyrrole in which the hydrogens at positions 5 and 6 have been replaced by oxo and acetamido groups, respectively. It is an inhibitor of DNA-dependent RNA polymerase, and exhibits antibacterial and antitumour properties.


estrane derivative

Any steroid (or derivative) based on an estrane skeleton.


RHODAMINE I

An organic cation resulting from the conversion of the carboxylate group of  tetramethylrhodamine to the corresponding ethyl ester.


olodaterol

A member of the class of benzoxazine that is 6-hydroxy-1,4-benzoxazin-3-one in which the hydrogen at position 4 is replaced by a (1R)-1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino}ethyl group. Used (as its hydrochloride salt) for long-term treatment of airflow obstruction in patients with chronic obstructive pulmonary disease including chronic bronchitis and/or emphysema.


A ring assembly that consists of  fisetinidol attached to a (+)-catechin unit resulting in a bond between C-4 of the pyran ring and C-8 of the benzopyran ring. It is isolated from Acacia mearnsii.


A dimethylnaphthalene carrying methyl groups at positions 2 and 3.


Any member of the class of coumarins that contains a 7-amino-2H-chromen-2-one skeleton.


norcoclaurine

A benzylisoquinoline alkaloid based on a  benzyltetrahydroisoquinoline skeleton.


name: 1-[(5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester


name: N-[[1-[3-(4-methylphenoxy)propyl]-3-indolyl]methylideneamino]carbamic acid ethyl ester


(R)-N-methylcoclaurinium

The conjugate acid of (R)-N-methylcoclaurine arising from protonation of the tertiary amino group; major species at pH 7.3.


SUBEROSIN

A member of the class of coumarins in which the coumarin ring is substituted at positions 6 and 7 by a 3-methylbut-2-en-1-yl group and a methoxy group, respectively. A natural product found in Citropsis articulata.


dithiolopyrrole

A heterobicyclic compound that is any dithiole ortho-fused with a pyrrole ring.


cefminox

A second-generation cephamycin antibiotic having [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl and 2-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}acetamido side-groups located respectively at positions 3 and 7beta of the cephem nucleus. A broad-spectrum bactericide, it is especially effective against Gram-negative and anaerobic bacteria.


benzofurochromene

An organic heteropolycyclic compound whose skeleton consists of a chromene ring fused onto a 1-benzofuran ring, together with their substituted derivatives.


name: 2-fluorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


A benzophenanthridine alkaloid comprising dihydrosanguinarine carrying a hydroxy substituent at the 10-position.


anthrapyrazole

Any organic heterotetracyclic compound consisting of a pyrazole ring ortho-fused to an anthracene.


Major microspecies at pH 7.3.


heteropolycyclic compound

A polycyclic compound in which at least one of the rings contains at least one non-carbon atom.


seco-pregnane

Any seco-steroid based on a pregnane skeleton.


methylindole

Any member of the class of indoles carrying one or more methyl substituents.


ladderane

Any carbopolycyclic compound comprising of two or more cyclobutane rings fuse together to form a series of varying lengths. These compounds have been found to occur naturally in certain anaerobic bacteria of the phylum Planctomycetes.


s-indacenes

Molecular entities containing an s-indacene skeleton.


The (25S)-steroisomer of 5alpha-spirostan.


name: 2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid prop-2-enyl ester


luzindole

A member of the class of indoles that is tryptamine in which one of the amino hydrogens is replaced by an acetyl group while the hydrogen at position 2 is replaced by a benzyl group.


CEFALORAM

A cephalosporin derivative with potent antibacterial activity which binds to and inactivates penicillin-binding proteins (PBPs) located on the inner membrane of the bacterial cell wall. PBPs are enzymes involved in the terminal stages of assembling the bacterial cell wall and in reshaping the cell wall during growth and division, inactivation of which interferes with the cross-linkage of peptidoglycan chains necessary for bacterial cell wall strength and rigidity, resulting in the weakening of the bacterial cell wall and causing cell lysis.


cefadroxil

A cephalosporin bearing methyl and  (2R)-2-amino-2-(4-hydroxyphenyl)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton.


cefroxadine

A first-generation cephalosporin antibiotic having methoxy and [(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetyl]amino side groups located at positions 3 and 7 respectively.


A  neolignan isolated from the stems of Sinocalamus affinis.


name: 1H-indazole-3-carboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester


CYTOGLOBOSIN E

A cytochalasan alkaloid found in Chaetomium globosum.


methyladenine

Any member of the class of 6-aminopurines that is adenine bearing a single methyl substituent.


xanthene dye

A dye derived by condensation of phthalic anhydride with resorcinol (and derivatives) or m-aminophenol (and derivatives).


purines

A class of imidazopyrimidines that consists of purine and its substituted derivatives.


cycloartane derivative

Any steroid (or derivative) based on a cycloartane skeleton.


name: 3-[(2-oxo-1-benzopyran-4-yl)thio]-2-butenoic acid ethyl ester


(Z)-indol-3-ylacetaldehyde oxime

An indol-3-ylacetaldehyde oxime in which the oxime moiety has Z configuration.


An L-glutamic acid derivative that is the amide obtained by formal condensation of the alpha-carboxy group of L-glutamic acid with the amino group of 2-naphthylamine.


ISOGINKGETIN

A biflavonoid resulting from the formal oxidative dimerisation between position 8 of one molecule of 5,7-dihydroxy-4'-methoxyflavone and the 3' position of another. Found in the leaves of Ginkgo biloba, it is a potent inhibitor of matrix metalloproteinase 9 (MMP-9).


(R)-dyphylline

The (R)-enantiomer of dyphylline.


The pteridine that is lumazine reduced across the C-6,C-7-double bond and substituted with a hydroxymethyl group at C-6 and a 1-D-ribityl group at N-8.


PHTHALIMIDE

A  dicarboximide that is 2,3-dihydro-1H-isoindole substituted by oxo groups at positions 1 and 3.


name: N-[4-[(4,4-diethyl-2,5-dioxo-1-imidazolidinyl)methyl]-2-oxo-1-benzopyran-7-yl]carbamic acid ethyl ester


A member of the class of indoles that is 1H-indole which is substituted by a propyl group at position 3 and by a sulfomethyl group at position 5.


name: (24R)ergosta-7, 22E-diene-3beta, 5alpha, 6beta-triol-3-O-palmitate


name: 4-morpholinecarboxylic acid [4-[6-amino-5-cyano-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] ester


(2S,3R,11R)-aszonalenin zwitterion

Major microspecies at pH 7.3.


ambiguine H

An ambiguine which is a (6aS,9R,10R,10aS)-9-ethenyl-10-isocyano-6,6,9-trimethyl-1-(2-methylbut-3-en-2-yl) substituted derivative of 2,6,6a,7,8,9,10,10a-octahydronaphtho[1,2,3-cd]indole. An antimicrobial agent isolated from the cyanobacterium strain, Fischerella.


A member of the class of naphthalenediols that is naphthalene-1,4-diol substituted at position 2 by a phytyl group.


A cis-1,2-dihydroxy-1,2-dihydro-7-methylnaphthalene that has 1R,2S-configuration.


PAULLONE

An indolobenzazepine that is 5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine carrying an oxo substituent at position 6.


Any member of the class of pteridines in which the the pteridine ring has been reduced by the formal addition of one molecule of hydrogen to positions 6 and 7.


A member of the class of 1,3-benzoxazoles that is 1,3-benzoxazole substituted by a 2-hydroxyphenyl group at position 2.


OCHRINDOLE A

A bisindole alkaloid that is phenol bearing a 3,3-dimethylallyl group at position 4, two methoxy groups at positions 3 and 6, and two indol-3-yl groups at positions 2 and 5. It is a natural product isolated from the sclerotia of Aspergillus orbraceus, with moderate activity against some insects, as well as Gram-positive bacteria.


dihydroscopoletin hexoside

R=hexoside


name: 4-[3-oxo-1-(3,4,5-trimethoxyanilino)-1H-isoindol-2-yl]-1-piperidinecarboxylic acid ethyl ester


A  neolignan isolated from the stems of Sinocalamus affinis.


name: (2S*, 4R*, 8R*, 1′S*)4,8-dihydroxy-2-(1-hydroxyheptyl)-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-5-one


ambiguine I

An ambiguine that consists of a 5,5,7,10,10-pentamethyl-4,5,5a,6a,6b,7,8,9,9a,10-decahydro-10dH-6-oxa-4-azacyclopropa[6,7]cyclohepta[1,2,3,4-mno]aceanthrylen-10d-ol skeleton with an ethenyl substituent at position 7 and an isocyano group at position 6b (the 5aS,6aR,6bR,7R,9aR,10dR stereoisomer). An antimicrobial agent isolated from the cyanobacterium strain Fischerella.


oxindoles

Any member of the class of indolones whose structure is based on an oxindole (2-indolone) skeleton.


A 2-demethylmenaquinol whose structure comprises a benzohydroquinone nucleus and a side chain of thirteen isoprenoid units.


A tetrapeptide compound with a succinyl group at the N-terminal and a 7-amino-4-methylcoumarin group at the C-terminal.


20-hydroxy steroid

Any hydroxy steroid that in which the steroid skeleton contains a hydroxy substituent at position 20.


imidazotetrazine

Any organic heterobicyclic compound containing ortho-fused imidazole and tetrazine rings.


oxacephem

Any member of the oxacephem sub-group of cephem antibiotics, in which the thiaazabicyclo moiety of the cephalosporins is replaced by an oxaazabicyclo moiety, and  where R3 is -H or -OCH3.


PEDUNCULOSUMOSIDE E

A homoflavonoid glycoside that is ophioglonol attached to a 2-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl and beta-D-glucopyranosyl residues at positions 7 and 4' respectively via glycosidic linkages. It has been isolated from the whole plants of Ophioglossum pedunculosum.


CASTANOSPERMINE

A tetrahydroxyindolizidine alkaloid that consists of octahydroindolizine having four hydroxy substituents located at positions 1, 6, 7 and 8 (the 1S,6S,7R,8R,8aR-diastereomer).


A  flavonolignan  isolated from the stems of Sinocalamus affinis.


name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-(2,5-dichloroanilino)-2-oxoethyl] ester


A member of the class of naphthalenediols that is 1,2-dihydronaphthalene substituted by hydroxy groups at positions 1 and 2 respectively.


name: 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid methyl ester


name: 5-bromo-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester


SALCOLIN B

A  flavonolignan isolated from the stems of Sinocalamus affinis.


benzofuran antifungal drug

Any member of the class of benzofurans which has been used as an antifungal drug.


chromenol

Any chromene carrying one or more hydroxy substituents.


2-naphthyl beta-D-glucoside

A beta-D-glucoside that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen is replaced by a 2-naphthyl group.


name: 3',4'-Methylenedioxy epicatechin 5,7-dimethyl ether


homoflavonoid glycoside

A homoflavonoid  having one or more glycosyl residues attached at unspecified positions.


A  homoisoflavonoid that is 3,4-dihydro-2H-1-benzopyran substituted by hydroxy groups at positions 3, 4 and 7 and a (4-hydroxyphenyl)methyl group at position 3 respectively (the 3R,4R-stereoisomer). It has been isolated from Caesalpinia sappan.


ISOGUANINE

An oxopurine that is 3,7-dihydro-purin-2-one in which the hydrogen at position 6 is substituted by an amino group.


name: 5-bromo-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester


A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which the hydrogens at positions 1 and 5 are replaced are replaced by 2-hydroxy-5-(trifluoromethyl)phenyl and trifluoromethyl groups, respectively. It is an opener/activator of the large-conductance calcium-activated potassium channel (Bkca).


name: 2-(4-chlorophenyl)-5-methyl-4-oxo-2,3-dihydro-1H-thieno[3,4-d]pyrimidine-7-carboxylic acid ethyl ester


A  neolignan isolated from Sinocalamus affinis.


(S)-tetrindole

An 8-cyclohexyl-2,3,3a,4,5,6-hexahydropyrazino[3,2,1-jk]carbazole that is the (S)-enantiomer of tetrindole.


Pterin acetylated on N-2 and carrying a formyl group at position 6.


acenaphthenes

Any member of the class of acenaphthylenes based on a acenaphthene skeleton and its derivatives.


A pteridine that is lumazine substituted with a 5-hydroxypentyl group at position 8 and a methyl group at position 7; one of 20 modifications to the potent microbial riboflavin-based metabolite antigen 5-(2-oxopropylideneamino)-6-D-ribityl aminouracil (5-OP-RU), an activator of mucosal-associated invariant T (MAIT) cells when presented by the MR1 protein (reported in MED:32123373).


A ketone hydrate that is naphthalene-1,2,3,4-tetrone in which water has been added to the keto groups at positions 2 and 3. It has been used as an antiviral agent in nasal ointment.


An N-(2-naphthyl)carboxamide obtained by formal condensation of the C-terminal carboxy group of N-glutaryl-L-phenylalanine with the amino group of 2-naphthylamine.


name: 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid 2-(4-morpholinyl)ethyl ester


A carboxynaphthofluorescein compound having a carboxy substituent at the 5-position.


name: 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester


name: cyclopropanecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


A member of the class of naphthalenediols that is 1,2-dihydronaphthalene substituted by hydroxy, hydroxy and methyl groups at position 1, 2 and 7, respectively.


An X-rhodamine compound having a carboxy substituent at the 5-position.


Compounds based on a fused 1,2-oxazole and benzene bicyclic ring skeleton, with the O atom positioned adjacent to one of the positions of ring fusion.


6beta-hydroxy steroid

Any 6-hydroxy steroid in which the 6-hydroxy substituent has beta-configuration.


name: 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester


16-hydroxy steroid

Any hydroxy steroid carrying a hydroxy group at position 16.


N-phthaloyl-L-glutamic acid

A glutamic acid derivative that is L-glutamic acid in which the two hydrogens on the amino group are substituted by a phthaloyl group.


tetralins

Compounds containing a tetralin skeleton.


epigallocatechin

A flavan-3,3',4',5,5',7-hexol having (2R,3R)-configuration.


purine N-oxides

Any N-oxide of a purine or purine derivative.


EUGENIN

A member of the class of  chromones that is chromone substituted by a hydroxy group at position 5, a methoxy group at position 7 and a methyl group at position 2. It has been isolated from Pisonia aculeata.


name: 4-chlorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: 2-(6-imidazo[2,1-b]thiazolyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester


Any hydroxyflavan containing a 3-hydroxy group and having 2S,3R stereochemistry.


LARICYTRIN

A monomethoxyflavone that is the 3'-O-methyl derivative of myricetin.


name: (-)-Epigallocatechin 3-gallate 7-glucoside 4"-glucuronide


indoleacetic acid conjugate

A conjugated form of indole-3-acetic acid.  There are two types of indoleacetic acid conjugates: ester and amide conjugates. The ester conjugates are formed with sugars or polyols through an ester bond, whereas the amide conjugates are formed with amino acids or polypeptides through an amide bond.


A methylhypoxanthine that is hypoxanthine with the methyl group at position 3.


N,alpha-dimethyltryptamine

A tryptamine derivative having methyl substituents at the N-and alpha-positions of the aminoethyl side-chain.


A methylguanine in which the methyl group is located at the N2-position.


name: 1-oxo-2-benzothiopyran-3-carboxylic acid methyl ester


macarpine

A benzophenanthridine alkaloid that is sanguinarine bearing two methoxy substituents.


CRYPTOLEPINE

An organic heterotetracyclic compound that is 5H-indolo[3,2-b]quinoline in which the hydrogen at position N-5 is replaced by a methyl group.


isochaetoglobosin D

A cytochalasan alkaloid found in Chaetomium globosum.


abacopterin B

An organic heterotetracyclic compound resulting from cyclocondensation of the 4- and 5-hydroxy groups of (2S,4S)-2-(4-methoxyphenyl)-6,8-dimethylchromane-4,5,7-triol across the 1- and 2-positions of 3-O-acetyl-1,2-didehydro-D-glucose. A natural product found in Abacopteris penangiana.


furopyran

Any organic heterobicyclic compound containing ortho-fused furan and pyran rings.


indacenes

Molecular entities containing an indacene skeleton.


name: N-[(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl)methyl]carbamic acid (phenylmethyl) ester


name: acetic acid [4-[acetyl-(4-chlorophenyl)sulfonylamino]-1-naphthalenyl] ester


cholestane ester

Any steroid ester based on a cholestane skeleton.


isostrychnine N-oxide

A monoterpenoid indole alkaloid with formula C21H22N2O3, originally isolated from the seeds of Strychnos nux-vomica.


loracarbef zwitterion

The zwitterionic form of loracarbef.


L-cysteine 2-naphthylamide

An L-cysteine derivative that is the amide obtained by formal condensation of the carboxy group of L-cysteine with the amino group of 2-naphthylamine.


benzoselenazole

An organic heterobicyclic compound whose skeleton consists of a benzene ring which is ortho-fused to a selenzole ring.


A benzothiazole consisting of a benzene ring fused to an isothiazole.


(+)-conocarpan

A member of the class of benzofurans that is 2,3-dihydro-1-benzofuran substituted by a methyl group at position 3, a prop-1-en-1-yl group at position 5 and a 4-hydroxyphenyl group at position 2. It is a lignan derivative isolated from the roots of Krameria lappacea.


DIBROMOBIMANE

A pyrazolopyrazole that consists of 1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione bearing two methyl substituents at positions 2 and 6 as well as two bromomethyl substituents at positions 3 and 5.


name: 4-oxo-2-(trifluoromethyl)-1H-thieno[3,4-b]pyridine-7-carboxylic acid methyl ester


A sialomonoglycosylceramide having N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl as the sialomonoglycosyl component.


An isocyanate that is diphenylmethane with a isocyanato substituent at the 4-position of one phenyl ring and a methyl group at the 4-position of the other.


An alkene that is but-1-ene carrying a methyl substituent at position 3.


glycylpeptide zwitterion

A peptide zwitterion that is the zwitterionic form of a glycylpeptide where the amino terminus is positively charged and the carboxy terminus is negatively charged.


name: migraine with or without aura, susceptibility to, 11

category: biolink:Disease biolink:DiseaseOrPhenotypicFeature biolink:BiologicalEntity biolink:ThingWithTaxon biolink:NamedThing


name: N-[3-carbamoyl-5-[diethylamino(oxo)methyl]-4-methyl-2-thiophenyl]carbamic acid methyl ester


fluvastatin sodium

A racemate that is the sodium salt of fluvastatin. An HMG-CoA reductase inhibitor, it is used to reduce triglycerides and LDL-cholesterol, and increase HDL-chloesterol, in the treatment of hyperlipidaemia.


anthracycline antibiotic

An organic compound that has a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine and which exhibits antibiotic activity.


aminal

Compounds having two amino groups bonded to the same carbon, R2C(NR2)2.


CALYCANTHINE

The principal alkaloid of the plant family Calycanthaceae.


A glycosylgalactose consisting of an alpha-L-fucopyranose residue and a D-galactopyranose residue joined in sequence by a (1->6) glycosidic bond.


An alpha-L-Fucp-(1->6)-D-Galp in which the carbon bearing the anomeric hydroxy group has beta configuration.


Phe-His zwitterion

A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Phe-His. Major species at pH 7.3.


isoporphyrin

A compound which is a tautomer of porphyrin containing a saturated meso carbon atom.


tetrahydrotyrosine zwitterion

An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of tetrahydrotyrosine; major species at pH 7.3.


Ala-Pro-Gly

A tripeptide composed of L-alanine, L-proline and glycine joined in sequence by peptide linkages.


bromoporphyrin

A substituted porphyrin compound containing one or more bromine atoms.


haloporphyrin

A substituted porphyrin compound containing one or more halogen atoms.


meso-bromoporphyrin

A porphyrin compound substituted with one or more bromine atoms bonded to a methine group of the porphyrin ring.


chloroporphyrin

A substituted porphyrin compound containing one or more chlorine atoms.


aldehydo-mannose

The open chain form of mannose.


aldehydo-D-mannose

The D-enantiomer of aldehydo-mannose.


aspartic acid derivative

An amino acid derivative resulting from reaction of aspartic acid at the amino group or either of the carboxy groups, or from the replacement of any hydrogen of aspartic acid by a heteroatom. The definition normally excludes peptides containing aspartic acid residues.


D-aspartic acid derivative

A non-proteinogenic amino acid derivative resulting from the formal reaction of D-aspartic acid at the amino group or either carboxy group, or from the replacement of any hydrogen of D-aspartic acid by a heteroatom.


L-aspartic acid derivative

A proteinogenic amino acid derivative resulting from reaction of L-aspartic acid at the amino group or either of the carboxy groups, or from the replacement of any hydrogen of L-aspartic acid by a heteroatom.


name: Quercetin 3,3'-dimethyl ether 4'-isovalerate


A melanin pigment produced by certain fungi. It plays important roles in UV protection, oxidative stress and pathogenesis. In Aspergillus fumigatus, it is used as a virulence factor and plays an important role in the survival of the fungus during unfavorable conditions both in vivo and in vitro, and protects it from the host immune system. The pigment is generally synthesised from the pentaketide pathway in which 1,8-dihydroxynaphthalene is the immediate precursor which is polymerized to 1,8-dihydroxynaphthalene-melanin by a laccase enzyme.


nocardicin G zwitterion

An amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of nocardicin G; major species at pH 7.3.


laminaritriose

A trisaccharide consisting of three beta-(1->3)-linked D-glucopyranose units with undefined stereochemistry at the reducing end.


organic heterocyclic compound

A cyclic compound having as ring members atoms of carbon and at least of one other element.


A tetrapeptide that is isolated from the sea hare Dolabella auricularia. It is a potent anticancer agent which inhibits tubulin polymerization.


bicoumarin

A biaryl in which both of the coupled aromatic groups consists of coumarin or a substituted coumarin.


ECONAZOLE NITRATE

A racemate composed of equimolar amounts of (R)- and (S)-econazole nitrate. Used to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections.


An organic cation that is tetrazolium substituted with a dimethylthiazolyl group and two phenyl groups. The cation exists in two resonance forms.


A 1,3-thiazole in which the only substituent is a 2-hydroxyethyl group at position 5.


superphthalocyanine

A cyclic pentapyrrole derivative that consists of five isoindole-type units, with the connecting carbon atoms replaced by nitrogen. The parent of the class of superphthalocyanines.


delta-lactam

A lactam in which the amide bond is contained within a six-membered ring, which includes the amide nitrogen and the carbonyl carbon.


A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2.


name: N,N-dimethylcarbamic acid [4-[6-(trifluoromethyl)-2-imidazo[1,2-a]pyridinyl]phenyl] ester


name: benzenecarbothioic acid S-(5-quinolinyl) ester


The intermediate in the biosynthesis of vitamin B12 from uroporphyrinogen III in which three methyl groups have been introduced at positions 2, 7 and 20 of the tetrapyrrole framework.


thiazolines

Thiazolines (or dihydrothiazoles) are a group of isomeric 5-membered heterocyclic compounds containing both sulfur and nitrogen in the ring.


CINCHONIDINE

8-epi-Cinchonan in which a hydrogen at position 9 is substituted by hydroxy (R configuration). A diasteroisomer of cinchonine, it occurs in the bark of most varieties of Cinchona shrubs, and is frequently used for directing chirality in asymmetric synthesis.


yaequinolone D

Published in DOI:10.1038/ja.2006.86


amicarbazone

A member of the class of triazoles that is 4,5-dihydro-1H-1,2,4-triazol-5-one which is substituted at position 1 by a tert-butylaminocarbonyl group and at position 3 by an isopropyl group. A selective herbicide for pre- and post-emergence control of annual dicotyledonous weeds and grasses, it is not approved for use within the European Union.


uranidine

A quinolone that is quinolin-4(1H)-one substituted by hydroxy groups at positions 3, 5, and 8. It is isolated from the sponge Aplysina aerophoba.


cytoporphyrin

A cyclic tetrapyrrole that consists of porphyrin bearing several substituents including methyl, vinyl, formyl, hydroxy and hydroxyalkatrienyl. The parent of the class of cytoporphyrins.


The first intermediate in the biosynthesis of vitamin B12 from uroporphyrinogen III, in which one methyl group has been introduced at position 2 of the tetrapyrrole framework.


beta-formylporphyrin

A porphyrin compound substituted with one or more formyl groups bonded to a pyrrole group of the porphyrin ring.


precorrin

Any of the intermediates in the biosynthesis of vitamin B12 from uroporphyrinogen III that lie on the pathway before the formation of the first corrin macrocycle. The figure after 'precorrin' corresponds to the number of C-methyl groups introduced into the tetrapyrrole framework.


tetrathiafulvalene

A member of the class of fulvalenes that is ethene substituted by 1,3-dithiol-2-ylidene groups at positions 1 and 2.


A triazole that is benzonitrile substituted by a (1S,2S)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl group at position 4.


A carbohydrate derivative consisting of beta-D-galactose having a 1-carboxyethylidene group masking the 3-and 4-positions.


bipyridines

Compounds containing a bipyridine group.