organophosphorus compound

An organophosphorus compound is formally a compound containing at least one carbon-phosphorus bond, but the term is often extended to include esters and thioesters.


proline derivative

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


peptide hormone

Any peptide with hormonal activity in animals, whether endocrine, neuroendocrine, or paracrine.


diamine

Any polyamine that contains two amino groups.


glutamic acid derivative

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


dicarboximide

An imide in which the two acyl substituents on nitrogen are carboacyl groups.


aromatic amine

An amino compound in which the amino group is linked directly to an aromatic system.


ethylenediamine derivative

Any organic amino compound that is a derivative of  ethylenediamine.


phenylalanine derivative

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


hydrazines

Hydrazine (diazane) and its substituted derivatives.


tryptophan derivative

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


C-nitro compound

A nitro compound having the nitro group (-NO2) attached to a carbon atom.


guanidines

Any organonitrogen compound containing a carbamimidamido (guanidino) group. Guanidines have the general structure (R(1)R(2)N)(R(3)R(4)N)C=N-R(5) and are related structurally to amidines and ureas.


secondary carboxamide

A carboxamide resulting from the formal condensation of a carboxylic acid with a primary amine; formula RC(=O)NHR(1).


tyrosine derivative

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


proteinogenic amino acid derivative

Any derivative of a proteinogenic amino acid resulting from reaction at an amino group, carboxy group, or a side-chain functional group, or from the replacement of any hydrogen by a heteroatom.


serine derivative

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


aromatic amide

An amide in which the amide linkage is bonded directly to an aromatic system.


secondary amino compound

A compound formally derived from ammonia by replacing two hydrogen atoms by organyl groups.


anilide

Any aromatic amide obtained by acylation of aniline.


secondary amide

A derivative of two oxoacids RkE(=O)l(OH)m (l =/= 0) in which two acyl groups are attached to the amino or substituted amino group.


cyanine dye

Cyanine dyes are synthetic dyes with the general formula R2N[CH=CH]nCH=N(+)R2    <-> R2N(+)=CH[CH=CH]nNR2 (n is a small number) in which the nitrogen and part of the conjugated chain usually form part of a heterocyclic system, such as imidazole, pyridine, pyrrole, quinoline and thiazole.


L-glutamic acid derivative

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


N-acylurea

A member of the class of ureas that has the general formula R-CO-NH-CO-NH2 or R-CO-NH-CO-NH-CO-R', formally derived by the acylation of one or both of the nitrogens of a urea moiety.


non-proteinogenic amino acid derivative

Any derivative of a non-proteinogenic amino acid resulting from reaction at an amino group or carboxy group, or from the replacement of any hydrogen by a heteroatom.


imidohydrazide

Any organonitrogen compound resulting from the formal condensation of the carbonyl group of a hydrazide, RC(=O)NHNR2, with a primary amino compound (or a substituted hydrazine) to replace the double-bonded oxygen atom by =NR to give RC(=NR)NHNR2.


hydroxamic acid ester

A carboxamide that is a hydroxamic acid in which the hydrogen of the hydroxy group is replaced by an organyl group.


aralkylamino compound

An organic amino compound in which an aminoalkyl group is linked to an arene.


nitro compound

A compound having a nitro group, -NO2 (free valence on nitrogen), which may be attached to carbon, nitrogen (as in nitramines), or oxygen (as in nitrates), among other elements (in the absence of specification, C-nitro compounds are usually implied).


L-alanine derivative

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


triamine

Any polyamine that contained three amino groups.


alpha,beta-unsaturated carboxylic acid amide

A monocarboxylic amide of general formula R(1)R(2)C=CR(3)-C(=O)NR(4)R(5)  or R(1)C#C-C(=O)NR(2)R(3) in which the amide C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position.


1,1-bis(phosphonic acid)

Any member of the class of phosphonic acids in which a carbon atom is directly attached to two phosphonic acid groups. They are analogues of pyrophosphates (with the central oxygen atom replaced by a carbon atom) and like pyrophosphates they tend to have a strong affinity for bone, so are frequently used for their antiresorptive and hypocalcaemic properties.


N-acylglutamic acid

A glutamic acid derivative that is glutamic acid in which a hydrogen attached to the nitrogen has been replaced by an acyl group.


histidine derivative

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


methoxybenzenes

Any aromatic ether that consists of a benzene skeleton substituted with one or more methoxy groups.


dimethoxybenzene

Any methoxybenzene that consists of a benzene skeleton substituted with two methoxy groups and its derivatives.


ester

A compound formally derived from an oxoacid RkE(=O)l(OH)m (l > 0) and an alcohol, phenol, heteroarenol, or enol by linking with formal loss of water from an acidic hydroxy group of the former and a hydroxy group of the latter.


aromatic ester

An ester where the ester linkage is bonded directly to an aromatic system.


biphenyls

Benzenoid aromatic compounds containing two phenyl or substituted-phenyl groups which are joined together by a single bond.


benzenes

Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives.


toluenes

Any member of the class of benzenes that is a substituted benzene in which the substituents include one (and only one) methyl group.


acenes

Polycyclic aromatic hydrocarbons consisting of fused benzene rings in a rectilinear arrangement and their substitution derivatives.


carbohydrates and carbohydrate derivatives

Any organooxygen compound that is a polyhydroxy-aldehyde or -ketone, or a compound derived from one. Carbohydrates contain only carbon, hydrogen and oxygen and usually have an empirical formula Cm(H2O)n; carbohydrate derivatives may contain other elements by substitution or condensation.


monosaccharide

Parent monosaccharides are polyhydroxy aldehydes H[CH(OH)]nC(=O)H or polyhydroxy ketones H-[CHOH]n-C(=O)[CHOH]m-H with three or more carbon atoms. The generic term 'monosaccharide' (as opposed to oligosaccharide or polysaccharide) denotes a single unit, without glycosidic connection to other such units. It includes aldoses, dialdoses, aldoketoses, ketoses and diketoses, as well as deoxy sugars, provided that the parent compound has a (potential) carbonyl group.


Kombetin

A glycosyl compound resulting from the attachment of a glycosyl group to a non-acyl group RO-, RS-, RSe-, etc. The bond between the glycosyl group and the non-acyl group is called a glycosidic bond. By extension, the terms N-glycosides and C-glycosides are used as class names for glycosylamines and for compounds having a glycosyl group attached to a hydrocarbyl group respectively. These terms are misnomers and should not be used. The preferred terms are glycosylamines and C-glycosyl compounds, respectively.


oligosaccharide derivative

A carbohydrate derivative that is formally obtained from an oligosaccharide.


carbohydrate acid derivative

A carbohydrate derivative that is formally obtained from a carbohydrate acid.


oligosaccharide

A compound in which monosaccharide units are joined by glycosidic linkages. The term is commonly used to refer to a defined structure as opposed to a polymer of unspecified length or a homologous mixture. When the linkages are of other types the compounds are regarded as oligosaccharide analogues.


D-glucoside

Any glucoside in which the glycoside group is derived from D-glucose.


carbohydrate

Any member of the class of organooxygen compounds that is a polyhydroxy-aldehyde or -ketone or a lactol resulting from their intramolecular condensation (monosaccharides); substances derived from these by reduction of the carbonyl group (alditols), by oxidation of one or more hydroxy groups to afford the corresponding aldehydes, ketones, or carboxylic acids, or by replacement of one or more hydroxy group(s) by a hydrogen atom; and polymeric products arising by intermolecular acetal formation between two or more such molecules (disaccharides, polysaccharides and oligosaccharides). Carbohydrates contain only carbon, hydrogen and oxygen atoms; prior to any oxidation or reduction, most have the empirical formula Cm(H2O)n. Compounds obtained from carbohydrates by substitution, etc., are known as carbohydrate derivatives and may contain other elements. Cyclitols are generally not regarded as carbohydrates.


glycosyl compound

A carbohydrate derivative arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to an oxygen, carbon, nitrogen or sulfur atom of a separate entity.


trisaccharide derivative

An oligosaccharide derivative that is formally obtained from a trisaccharide.


anthocyanin cation

Any flavonoid that is a glycoside derivative of an anthocyanidin cation.


beta-D-glucoside

Any D-glucoside in which the anomeric centre has beta-configuration.


disaccharide derivative

A carbohydrate derivative that is formally obtained from a disaccharide.


saponin

A glycoside that is a compound containing one or more hydrophilic glycoside moieties combined with a lipophilic triterpenoid or steroid derivative. Found in particular abundance in plant species.


tetrasaccharide derivative

An oligosaccharide derivative that is formally obtained from a tetrasaccharide.


neohesperidoside

A glycoside containing alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl residue as the sugar unit.


alditol derivative

A carbohydrate derivative that is formally obtained from an alditol.


beta-glucoside

A glucoside in which the anomeric carbon of the glycosidic bond is in a beta configuration


pentasaccharide derivative

An oligosaccharide derivative that is formally obtained from a pentasaccharide.


amino sugar

Any sugar having one or more alcoholic hydroxy groups replaced by substituted or unsubstituted amino groups.


glucosiduronic acid

Any substance produced by linking glucuronic acid to another substance via a glycosidic bond.


glycan

Any oligosaccharide, polysaccharide or their derivatives consisting of monosaccharides or monosaccharide derivatives linked by glycosidic bonds. See also http://www.ontobee.org/ontology/GNO?iri=http://purl.obolibrary.org/obo/GNO_00000001.


C-glycosyl compound

A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to a carbon atom, thus creating a C-C bond.


carbohydrate derivative

Any organooxygen compound derived from a carbohydrate by replacement of one or more hydroxy group(s) by an amino group, a thiol group or similar heteroatomic groups. The term also includes derivatives of these compounds.


olefinic compound

Any organic molecular entity that contains at least one C=C bond.


phenylpropanoid

Any organic aromatic compound with a structure based on a phenylpropane skeleton. The class includes naturally occurring phenylpropanoid esters, flavonoids, anthocyanins, coumarins and many small phenolic molecules as well as their semi-synthetic and synthetic analogues. Phenylpropanoids are also precursors of lignin.


lignan

Any phenylpropanoid  derived from phenylalanine via dimerization of substituted cinnamic alcohols, known as monolignols, to a dibenzylbutane skeleton. Note that while individual members of the class have names ending ...lignane, ...lignene, ...lignadiene, etc., the class names lignan, neolignan, etc., do not end with an "e".


acetylenic compound

Any organic molecule containing a C#C bond.


terminal acetylenic compound

An acetylenic compound which a carbon of the C#C moiety is attached to a hydrogen atom.


antibiotic fungicide

Any antibiotic antifungal agent that has been used as a fungicide.


transition element molecular entity

A molecular entity containing one or more atoms of a transition element.


organomercury compound

A compound containing at least one carbon-mercury bond.


d-block molecular entity

A d-block molecular entity is a molecular entity containing one or more atoms of a d-block element.


organic molecular entity

Any molecular entity that contains carbon.


quinomethanes

Methylidenecyclohexadienones and dimethylidenecyclohexadienes, formally derived from quinones by replacement of one or both of the quinone oxygens by methylidene groups.


one-carbon compound

An organic molecular entity containing a single carbon atom (C1).


ether

An organooxygen compound with formula ROR, where R is not hydrogen.


organic molecule

Any molecule that consists of at least one carbon atom as part of the electrically neutral entity.


diether

A polyether in which the number of ether linkages is 2.


organometallic compound

A compound having bonds between one or more metal atoms and one or more carbon atoms of an organyl group.


semisynthetic derivative

Any organic molecular entity derived from a natural product by partial chemical synthesis.


anthoxanthin

are a type of flavonoid pigments in plants. Anthoxanthins are water-soluble pigments which range in color from white or colorless to a creamy to yellow, often on petals of flowers.


cyclopropanes

Cyclopropane and its derivatives formed by substitution.


acid anhydride

Compounds consisting of two acyl groups bonded to the same oxygen atom acyl-O-acyl.


benzyl ether

A compound of formula PhCH2OR (R =/= H).


statin (naturally occurring)

Any statin that occurs in nature. The class includes compactin (also known as mevastatin), isolated from a fermentation broth of Penicillium citrinum, and lovastatin, isolated from Aspergillus terreus.


antibiotic antifungal agent

Heteroorganic entities that are microbial metabolites (or compounds derived from them) which have significant antifungal properties.


methoxyflavone

Any member of the class of flavones with at least one methoxy substituent.


heteroorganic entity

A heteroorganic entity is an organic molecular entity in which carbon atoms or organic groups are bonded directly to one or more heteroatoms.


lipid

'Lipids' is a loosely defined term for substances of biological origin that are soluble in nonpolar solvents. They consist of saponifiable lipids, such as glycerides (fats and oils) and phospholipids, as well as nonsaponifiable lipids, principally steroids.


organoboron compound

A compound containing at least one carbon-boron bond.


glycerol ether

Any ether having glyceryl as at least one of the O-substituents.


acetal

An organooxygen compound having the structure RR'C(OR'')(OR''') (R'', R''' =/= H). Mixed acetals have R'' and R''' groups which differ.


bridged diphenyl antifungal agent

Any organic aromatic compound containing two phenyl (or substituted phenyl) groups attached to a single carbon or heteroatom and which has significant antifungal properties.


poly(ethylene glycol) derivative

A polyether that is any poly(ethylene glycol) in which one or both of the terminal hydroxy groups has been substituted or undergone modification.


aliphatic compound

Any acyclic or cyclic, saturated or unsaturated carbon compound, excluding aromatic compounds.


aromatic ether

Any ether in which the oxygen is attached to at least one aryl substituent.


flavones

A member of the class of flavonoid with a 2-aryl-1-benzopyran-4-one (2-arylchromen-4-one) skeleton and its substituted derivatives.


polyether

Any ether that contains more than one ether linkage.


carbocyclic compound

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


S-substituted L-cysteine zwitterion

The zwitterionic form of an S-substituted L-cysteine.


statin (synthetic)

A statin which does not occur naturally and which is not obtained by chemical transformation of a naturally occurring statin.


flavonoid

Any member of the 'superclass' flavonoids whose skeleton is based on 1-benzopyran with an aryl substituent at position 2. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds.


bridged diphenyl fungicide

Any organic aromatic compound containing two phenyl (or substituted phenyl) groups attached to a single carbon or heteroatom and which has been used as a fungicide.


ketal

An acetal of formula R2C(OR)2 (R =/= H) derived from a ketone by replacement of the oxo group by two hydrocarbyloxy groups. The class name 'ketals', once abandoned by IUPAC, has been reinstated as a subclass of acetals.


trimethoxyflavone

A methoxyflavone that is flavone substituted by three methoxy groups.


flavonoid phytoalexin

Any of a group of water-soluble phenolic derivatives containing a flavan skeleton, which possess antibiotic activity and are produced by plant tissues in response to infection.


organic cyclic compound

Any organic molecule that consists of atoms connected in the form of a ring.


S-aryl-L-cysteine zwitterion

An S-substituted L-cysteine zwitterion in which the S-substitutuent can be any aryl group.


tetraorganoborate ion

A compound R4B(-) where R are organyl groups.


zwitterion

A neutral compound having formal unit electrical charges of opposite sign on non-adjacent atoms. Sometimes referred to as inner salts, dipolar ions (a misnomer).


organochalcogen compound

An organochalcogen compound is a compound containing at least one carbon-chalcogen bond.


organooxygen compound

An organochalcogen compound containing at least one carbon-oxygen bond.


amino acid zwitterion

The zwitterionic form of an amino acid having a negatively charged carboxyl group and a positively charged amino group.


polyketide

Natural and synthetic compounds containing alternating carbonyl and methylene groups ('beta-polyketones'), biogenetically derived from repeated condensation of acetyl coenzyme A (via malonyl coenzyme A), and usually the compounds derived from them by further condensations, etc. Considered by many to be synonymous with the less frequently used terms acetogenins and ketides.


organic acid

Any organic molecular entity that is acidic and contains carbon in covalent linkage.


dipolar compound

An  organic molecule that is electrically neutral carrying a positive and a negative charge in one of its major canonical descriptions. In most dipolar compounds the charges are delocalized; however the term is also applied to species where this is not the case.


botanical anti-fungal agent

Heteroorganic entities that are plant metabolites which have significant antifungal properties.


fatty acid derivative

Any organic molecular entity derived from a fatty acid.


organic cation

Any organic ion with a net positive charge.


alkylglycerol

A glycerol ether having at least one alkyl substituent on oxygen.


cyclopentanes

Cyclopentane and its derivatives formed by substitution.


biaryl

An organic aromatic compound whose structure contains two aromatic rings or ring systems, joined to each other by a single bond.


antibiotic antifungal drug

Any antibiotic antifungal agent used to treat fungal infections in humans or animals.


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


bridged diphenyl antifungal drug

Any bridged diphenyl antifungal agent used for the treatment of fungal infections in humans or animals.


statin

Any organooxygen compound whose structure is related to compactin (mevastatin) and which may be used as an anticholesteremic drug due its EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitory properties.


flavonoids

Any organic molecular entity whose stucture is based on derivatives of a phenyl-substituted 1-phenylpropane possessing a C15 or C16 skeleton, or such a structure which is condensed with a C6-C3 lignan precursors. The term is a 'superclass' comprising all members of the classes of flavonoid, isoflavonoid, neoflavonoid, chalcones, dihydrochalcones, aurones, pterocarpan, coumestans, rotenoid, flavonolignan, homoflavonoid and flavonoid oligomers. Originally restricted to natural products, the term is also applied to synthetic compounds related to them.


cation

A monoatomic or polyatomic species having one or more elementary charges of the proton.


p-block molecular entity

A main group molecular entity that contains one or more atoms of a p-block element.


chalcogen molecular entity

Any p-block molecular entity containing a chalcogen.


ion

A molecular entity having a net electric charge.


anion

A monoatomic or polyatomic species having one or more elementary charges of the electron.


polyatomic ion

An ion consisting of more than one atom.


aromatic compound

A cyclically conjugated molecular entity with a stability (due to delocalization) significantly greater than that of a hypothetical localized structure (e.g. Kekule structure) is said to possess aromatic character.


macrocycle

A cyclic compound containing nine or more atoms as part of the cyclic system.


chemical entity

A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances.


main group molecular entity

A molecular entity containing one or more atoms from any of groups 1, 2, 13, 14, 15, 16, 17, and 18 of the periodic table.


cyclic compound

Any molecule that consists of a series of atoms joined together to form a ring.


chemical substance

A chemical substance is a portion of matter of constant composition, composed of molecular entities of the same type or of different types.


heterocyclic compound

A cyclic compound having as ring members atoms of at least two different elements.


polyatomic entity

Any molecular entity consisting of more than one atom.


inorganic molecular entity

A molecular entity that contains no carbon.


ring assembly

Two or more cyclic systems (single rings or fused systems) which are directly joined to each other by double or single bonds are named ring assemblies when the number of such direct ring junctions is one less than the number of cyclic systems involved.


cluster

A cluster is a number of metal centres grouped close together which can have direct metal bonding interactions or interactions through a bridging ligand, but are not necessarily held together by these interactions.


bicyclic compound

A molecule that features two fused rings.


mancude ring

Any molecular entity that consists of a ring having (formally) the maximum number of noncumulative double bonds.


molecule

Any polyatomic entity that is an electrically neutral entity consisting of more than one atom.


heterobicyclic compound

A bicyclic compound in which at least one of the rings contains at least one skeletal heteroatom.


s-block molecular entity

An s-block molecular entity is a molecular entity containing one or more atoms of an s-block element.


homocyclic compound

A cyclic compound having as ring members atoms of the same element only.


molecular entity

Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity.