Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
| Member | Definition | Class |
|---|
| (-)-gallocatechin gallate | A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-gallocatechin. A natural product found in found in green tea. | (-)-gallocatechin gallate |
| (-)-pinoresinol | An enantiomer of pinoresinol having (-)-1R,3aS,4R,6aS-configuration. | (-)-pinoresinol |
| (+)-dehydrodiconiferyl alcohol | A dehydrodiconiferyl alcohol that has (2S,3R)-configuration. A natural product isolated from several plant species including Allium sativum and Codonopsis pilosula. | (+)-dehydrodiconiferyl alcohol |
| (+)-epicatechin | A catechin that is flavan carrying five hydroxy substituents at positions 3, 3', 4', 5 and 7 (the 2S,3S-stereoisomer). | (+)-epicatechin |
| (+)-limonene | An optically active form of limonene having (4R)-configuration. | (4R)-limonene |
| (20R)-ginsenoside Rg3 | A ginsenoside found in Panax japonicus var. major that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-R positions, in which the hydroxy group at position 3 has been converted to the corresponding beta-D-glucopyranosyl-beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position. | (20R)-ginsenoside Rg3 |
| (2S)-5,7-dihydroxy-6,8-dimethylflavanone | A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 7 and methyl groups at positions 6 and 8. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2. | (2S)-5,7-dihydroxy-6,8-dimethylflavanone |
| (all-e) phytoene | The all-trans-isomer of phytoene. | all-trans-phytoene |
| (E)-sinapaldehyde 4-O-beta-D-glucopyranoside | A beta-D-glucoside resulting from the formal condensation of the phenolic hydroxy group of (E)-sinapaldehyde with beta-D-glucose. | (E)-sinapaldehyde 4-O-beta-D-glucopyranoside |
| 1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one | A diarylheptanoid that is hept-6-en-3-one substituted by a 4-hydroxyphenyl group at position 1 and a phenyl group at position 7 respectively. It has been isolated from the rhizomes of Curcuma kwangsiensis. | 1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one |
| 1-alpha-terpineol | The (S)-enantiomer of alpha-terpineol. | (S)-(-)-alpha-terpineol |
| 1-aminocyclopropane-1-carboxylic acid | A non-proteinogenic alpha-amino acid consisting of cyclopropane having amino and carboxy substituents both at the 1-position. | 1-aminocyclopropanecarboxylic acid zwitterion; 1-aminocyclopropanecarboxylic acid |
| 1-aminocyclopropane-1-carboxylic acid | An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 1-aminocyclopropanecarboxylic acid; major species at pH 7.3. | 1-aminocyclopropanecarboxylic acid zwitterion; 1-aminocyclopropanecarboxylic acid |
| 1-deoxynojirimycin | An optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration. | duvoglustat |
| 1-hexacosanol | A very long-chain primary fatty alcohol that is hexacosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group. | hexacosan-1-ol |
| 1-hexanol | A primary alcohol that is hexane substituted by a hydroxy group at position 1. | hexan-1-ol |
| 1-hydroxy-2-methylanthraquinone | A member of the class of hydroxyanthraquinones that is anthracene-9,10-dione substituted by a hydroxy group at position 1 and a methyl group at position 2. It has been isolated from the roots of Rubia yunnanensis. | 1-hydroxy-2-methyl-9,10-anthraquinone |
| 1-methylnaphthalene | A methylnaphthalene carrying a methyl substituent at position 1. | 1-methylnaphthalene |
| 1-monooleoyl-rac-glycerol | A 1-monoglyceride where the acyl group is oleoyl. | 1-oleoylglycerol |
| 1-nonanol | A nonanol that is nonane substituted by a hydroxy group at position 1. It has been isolated as a component of volatile oils from plants like Hordeum vulgare. | nonan-1-ol |
| 1-O-feruloyl-beta-D-glucose | A beta-D-glucoside resulting from the formal condensation of the carboxy group of ferulic acid with the anomeric hydroxy group of beta-D-glucose. | 1-O-feruloyl-beta-D-glucose |
| 1-octacosanol | An ultra-long-chain primary fatty alcohol that is octacosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group. | octacosan-1-ol |
| 1-octanol | An octanol carrying the hydroxy group at position 1. | octan-1-ol |
| 1-pentene-3-one | An enone that is pent-1-ene substituted by an oxo group at position 3. | 1-penten-3-one |
| 1-phenyl-1,2-propanedione | An alpha-diketone that consists of 1-phenylpropane bearing keto substituents at positions 1 and 2. It is found in coffee. | 1-phenyl-1,2-propanedione |
| 1-tridecanol | A long-chain primary fatty alcohol that is tridecane substituted by a hydroxy group at position 1. | tridecan-1-ol |
| 1,1-dimethoxyethane | An acetal that is dimethoxymethane substituted by a methyl group at position 1. | 1,1-dimethoxyethane |
| 1,2,3-trimethoxybenzene | A methoxybenzene that is benzene substituted by methoxy groups at positions 1, 2 and 3 respectively. | 1,2,3-trimethoxybenzene |
| 1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid | A member of the class of beta-carbolines that is 1,2,3,4-tetrahydro-beta-carboline substituted at position 3 by a carboxy group. | 1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid |
| 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose | A galloyl-beta-D-glucose compound having five galloyl groups in the 1-, 2-, 3-, 4- and 6-positions. | 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose |
| 1,2,8-trihydroxy-6-methoxyxanthone | A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 2 and 8 and a methoxy group at position 6. It has been isolated from various species of the genus Swertia and has been found to exhibit antioxidant activities. | swertianin |
| 1,3-diphenylurea | A member of the class of phenylureas that is urea in which one of the hydrogens of each amino group is replaced by a phenyl group. It is present in coconut milk (Cocos nucifera). | 1,3-diphenylurea |
| 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone | A trihydroxyanthraquinone that is 9,10-anthraquinone substituted by hydroxy groups at positions 1, 3 and 6 and a methyl group at position 2. It has been isolated from the roots of Rubia yunnanensis. | 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone |
| 1,3,7,9-tetramethyluric acid | An oxopurine that is uric acid in which the hydrogens at positions 1,3,7 and 9 are replaced by methyl groups. It is a purine alkaloid that is found in Chinese tea known as kucha (Camellia assamica var. kucha) and exhibits anti-inflammatory and analgesic properties. | 1,3,7,9-tetramethyluric acid |
| 1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one | A diarylheptanoid that is 1,4,6-heptatrien-3-one substituted by 4-hydroxypheny group at positions 1 and 7 respectively. It has been isolated from the rhizomes of Curcuma domestica and Etlingera elatior. | 1,7-bis (4-hydroxyphenyl)-1,4,6-heptatrien-3-one |
| 1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one | A diarylheptanoid that is 4E-6E-dien-3-one substituted by 4-hydroxyphenyl group at positions 1 and 7. It has been isolated from the rhizomes of Curcuma kwangsiensis. | 1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one |
| 1,7-dihydroxy-4-methoxyxanthone | A member of the class of xanthones that is 9H-xanthene substituted by hydroxy groups at positions 1 and 7, a methoxy group at position 4 and an oxo group at position 9. It has been isolated from the stems of Cratoxylum cochinchinense. | 1,7-dihydroxy-4-methoxyxanthone |
| 1,8-dihydroxy-3,7-dimethoxyxanthone | A member of the class of xanthones that is swertianin in which the hydroxy group at position 2 has been replaced by a methoxy group. | 2-O-methylswertianin |
| 1,9-dideoxyforskolin | A labdane diterpenoid that is the 1,9-dideoxy derivative of forskolin. | 1,9-dideoxyforskolin |
| 1'-acetoxychavicol acetate | An acetate ester that is chavicol acetate substituted by an acetoxy group at position 1'. | 1'-acetoxychavicol acetate |
| 10-nonacosanol | A fatty alcohol that is nonacosane substituted by a hydroxy group at position 10. | nonacosan-10-ol |
| 11-hydroxysugiol | An abietane diterpenoid that is sugiol in which the hydrogen ortho to the phenolic hydroxy group has been replaced by a hydroxy group. | 11-hydroxysugiol |
| 12-hydroxy stearic acid | A hydroxy fatty acid that is stearic acid bearing a hydroxy substituent at position 12. | 12-hydroxyoctadecanoic acid |
| 14-methylhexadecanoic acid | A methyl-branched fatty acid that is hexadecanoic acid (palmitic acid) substituted by a methyl group at position 14. | 14-methylhexadecanoic acid |
| 16-hydroxypalmitic acid | An omega-hydroxy-long-chain fatty acid that is hexadecanoic acid (also known as palmitic acid) which is substituted at position 16 by a hydroxy group. It is a key monomer of cutin in the plant cuticle. | 16-hydroxyhexadecanoic acid |
| 2-(2-phenylethyl)chromone | 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. | 2-(2-phenylethyl)chromone |
| 2-aminothiophenol | An aryl thiol that is thiophenol substituted at position 2 by an amino group. | 2-aminothiophenol |
| 2-chlorobenzoic acid | A monochlorobenzoic acid having the chloro group at the 2-position. | 2-chlorobenzoic acid |
| 2-ethylfuran | A member of the class of furans that is furan in which the hydrogen atom at position 2 has been replaced by an ethyl group. | 2-ethylfuran |
| 2-ethylhexanol | A primary alcohol that is hexan-1-ol substituted by an ethyl group at position 2. | 2-ethylhexan-1-ol |
| 2-furoic acid | A furoic acid having the carboxylic acid group located at position 2. | 2-furoic acid |
| 2-heptenal | A monounsaturated fatty aldehyde that is (2E)-hept-2-ene which is carrying an oxo group at position 1. Found in the peel of Malaysian pink and white pomelo peel and in the scent gland secretion of the rice stink bug Oebalus pugnax. | (E)-hept-2-enal |
| 2-hexanol | A hexanol in which the hydroxy group is at position 2. | hexan-2-ol |
| 2-hexenal, z-isomer | A 2-hexenal in which the olefinic double bond has E configuration. It occurs naturally in a wide range of fruits, vegetables, and spices. | (2E)-hexenal |
| 2-hydroxy-1,4-benzoxazin-3-one | A benzoxazine bearing hydroxy and oxo substituents at positions 2 and 3 respectively. | HBOA |
| 2-hydroxypyridine | A monohydroxypyridine that is pyridine substituted by a hydroxy group at position 2. | pyridin-2-ol |
| 2-methoxy-1,4-naphthoquinone | A naphthoquinone that is naphthalene-1,4-dione substituted by a methoxy group at position 2. It has been isolated from the roots of Rubia yunnanensis. | 2-methoxy-1,4-naphthoquinone |
| 2-methyl-5-(1-methylethenyl)cyclohexanol | A p-menthane monoterpenoid that is the dihydro derivative of carveol. | dihydrocarveol |
| 2-methylbenzaldehyde | A tolualdehyde compound with the methyl substituent at the 2-position. | o-tolualdehyde |
| 2-methylbutanal | A methylbutanal in which the methyl substituent is at position 2. | 2-methylbutanal |
| 2-methylcyclohexanone | A member of the class of cyclohexanones that is cyclohexanone substituted by a methyl group at position 2. | 2-methylcyclohexanone |
| 2-methylfuran | A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a methyl group. | 2-methylfuran |
| 2-methylpyrrolidine | A member of the class of pyrrolidines that is pyrrolidine which is substituted by a methyl group at position 2. | 2-methylpyrrolidine |
| 2-methylvaleric acid | A methyl-branched fatty acid that is pentanoic acid which carries a methyl group at position 2. | 2-methylvaleric acid |
| 2-nonanol | A secondary alcohol that is nonane substituted by a hydroxy group at position 2. | nonan-2-ol |
| 2-nonanone | A methyl ketone that is nonane in which the methylene hydrogens at position 2 are replaced by an oxo group. | nonan-2-one |
| 2-nonenal, (trans)-isomer | A monounsaturated fatty aldehyde that is (2E)-non-2-ene which is carrying an oxo group at position 1. | (E)-non-2-enal |
| 2-octanol | An octanol carrying the hydroxy group at position 2. | octan-2-ol |
| 2-oxindole-3-acetic acid | A member of the class of oxindoles that is 2-oxindole carrying a carboxymethyl substituent at position 3. | 2-oxindole-3-acetic acid |
| 2-pentanone | A pentanone carrying an oxo substituent at position 2. | pentan-2-one |
| 2-pentenal | A 2-pentenal in which the double bond has (E)-configuration. It is found in cigarette smoke, virgin olive oil, and milk. | (E)-2-pentenal |
| 2-propylphenol | A member of the class of phenols that is phenol which is substituted by a propyl group at position 2. | 2-propylphenol |
| 2-pyrrolecarboxylic acid | A pyrrolecarboxylic acid that is 1H-pyrrole carrying a carboxy substituent at position 2. | pyrrole-2-carboxylic acid |
| 2-tridecanone | A methyl ketone that is tridecane in which the methylene hydrogens at position 2 are replaced by an oxo group. | tridecan-2-one |
| 2-undecanol | A secondary alcohol that is undecane substituted by a hydroxy group at position 2. | undecan-2-ol |
| 2-vanillin | A member of the class of benzaldehydes that is salicylaldehyde substituted by a methoxy group at position 3. | ortho-vanillin |
| 2,3-dihydro-3beta-methoxy withaferin A | A withanolide that is 2,3-dihydrowithaferin A substituted by a beta-methoxy group at position 3. It has been isolated from the aerial parts of Physalis longifolia. | 2,3-dihydro-3beta-methoxy withaferin A |
| 2,3-dihydro-3beta-O-sulfate withaferin A | A withanolide that is 2,3-dihydrowithaferin A substituted by a sulfoxy group at position 3. Isolated from Physalis longifolia, it exhibits antineoplastic activity. | 2,3-dihydro-3beta-O-sulfate withaferin A |
| 2,3-dihydrowithaferin A | A withanolide that is the 2,3-dihydro derivative of withaferin A. It has been isolated from the aerial parts of Physalis longifolia. | 2,3-dihydrowithaferin A |
| 2,3-dihydroxybenzoic acid | A dihydroxybenzoic acid that is benzoic acid substituted by hydroxy groups at positions 2 and 3. It occurs naturally in Phyllanthus acidus and in the aquatic fern Salvinia molesta. | 2,3-dihydroxybenzoic acid |
| 2,3,5-trimethylpyrazine | A member of the class of pyrazines that is pyrazine in which three hydrogens at positions 2, 3 and 5 have been replaced by methyl groups. | trimethylpyrazine |
| 2,4-dihydroxy-1,4-benzoxazin-3-one | A lactol that consists of 1,4-benzoxazine bearing two hydroxy substituents at positions 2 and 4 as well as a keto group at position 3. | DIBOA |
| 2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one | A lactol that is DIBOA in which the hydrogen at position 7 is replaced by a methoxy group. It has been isolated from the maize plants. | DIMBOA |
| 2,4-hexadienal | A hexadienal that is hexanal with trans double bonds at positions 2 and 4. It is found in tomatoes, kiwi fruit, mangoes, potato chips, herbs and spices. | (E,E)-2,4-hexadienal |
| 2,4,6-trihydroxyacetophenone | A benzenetriol that is acetophenone in which the hydrogens at positions 2, 4, and 6 on the phenyl group are replaced by hydroxy groups. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of acidic glycans and glycopeptides. | 2',4',6'-trihydroxyacetophenone |
| 2,5-dimethylfuran | A member of the class of furans that is furan in which the hydrogens at positions 2 and 5 are replaced by methyl groups. | 2,5-dimethylfuran |
| 2,6-dihydroxyanthraquinone | A dihydroxyanthraquinone that is anthracene substituted by hydroxy groups at C-3 and C-7 and oxo groups at C-9 and C-10. | anthraflavic acid |
| 2'-hydroxygenistein | A hydroxyisoflavone that is genistein substituted by an additional hydroxy group at position 2'. It has been isolated from Crotalaria lachnophora. | 2'-hydroxygenistein |
| 2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone | A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2' and 4', a methoxy group at position 6' and methyl groups at positions 3' and 5'. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2. | 2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone |
| 2',4',6'-trihydroxychalcone | A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2', 4' and 6' respectively. | pinocembrin chalcone |
| 23-hydroxytormentic acid | A pentacyclic triterpenoid that is asiatic acid substituted by a hydroxy group at position 19. It has been isolated from the leaves of Rosa laevigata. | 19alpha-hydroxyasiatic acid |
| 23-hydroxyursolic acid | A pentacyclic triterpenoid that is ursolic acid substituted by an additional hydroxy group at position 23. It has been isolated from Lagerstroemia speciosa and Juglans sinensis. | 23-hydroxyursolic acid |
| 24-methylene cycloartanol | A pentacyclic triterpenoid that is (9beta)-24-methylene-9,19-cyclolanostane which carries a hydroxy group at position 3beta. It is isolated from several plant species including Euphorbia, Epidendrum, Psychotria and Sideritis. | 24-methylenecycloartanol |
| 2alpha,3beta-dihydroxy-20(29)-lupen-28-oic acid | A pentacyclic triterpenoid that is betulinic acid carrying an additional alpha-hydroxy group at position 2. It has been isolated from Breynia fruticosa. | 2alpha,3beta-dihydroxy-20(29)-lupen-28-oic acid |
| 3-epi-fagomine | A member of the class of hydroxypiperidines that is piperidine carrying a hydroxymethyl substituent at position 2 as well as two hydroxy substituents at positions 3 and 4 (the 2R,3R,4S-diastereomer). | 3-epi-fagomine |
| 3-hexen-1-ol | A primary alcohol that is hex-3-ene substituted by a hydroxy group at position 1. | hex-3-en-1-ol |
| 3-hydroxy-3-methylbutene | A tertiary alcohol that is 3-methylbut-1-ene carrying a hydroxy substituent at position 3. | 3-hydroxy-3-methylbut-1-ene |
| 3-hydroxybenzoic acid | A monohydroxybenzoic acid that is benzoic acid substituted by a hydroxy group at position 3. It has been isolated from Taxus baccata. It is used as an intermediate in the synthesis of plasticisers, resins, pharmaceuticals, etc. | 3-hydroxybenzoic acid |
| 3-mercaptohexanol | An alkanethiol that is hexane substituted at positions 1 and 3 by hydroxy and sulfanyl groups respectively. | 3-mercaptohexanol |
| 3-methylbenzaldehyde | A tolualdehyde compound with the methyl substituent at the 3-position. | m-tolualdehyde |
| 3-methylfuran | A member of the class of furans that is furan in which the hydrogen at position 3 is replaced by a methyl group. It is a chemical that is produced in foods during food processing and preservation techniques that involve heat treatment such as cooking and pasteurization. | 3-methylfuran |
| 3-methylkaempferol | A trihydroxyflavone that is apigenin substituted by a methoxy group at position 3. | 3-methoxyapigenin |
| 3-o-(alpha-l-arabinopyranosyl)hederagenin | A triterpenoid saponin that is hederagenin attached to an alpha-L-arabinopyranosyl residue at position 3 via a glycosidic linkage. | hederagenin 3-O-arabinoside |
| 3-O-feruloyl-D-quinic acid | A quinic acid that is the 3-O-feruloyl derivative of D-quinic acid. | 3-O-feruloyl-D-quinic acid |
| 3-octanone | A dialkyl ketone that is octane in which the two methylene protons at position 3 have been replaced by an oxo group. | 3-octanone |
| 3-phenylpropanal | A benzene which is substituted by a 3-oxopropyl group at position 1. | 3-phenylpropanal |
| 3-phenylpropionic acid | A monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group. | 3-phenylpropionic acid |
| 3-tyrosine | A hydroxyphenylalanine that is L-phenylalanine with a substituent hydroxy group at position 3. | L-m-tyrosine zwitterion; L-m-tyrosine |
| 3,3'-di-o-methylquercetin | A dimethoxyflavone that is quercetin in which the hydroxy groups at position 3 and 3' have been replaced by methoxy groups. It has been isolated from several plant species and exhibits anti-bacterial and anti-cancer properties. | 3,3'-dimethylquercetin |
| 3,3',4,5'-tetrahydroxystilbene | A stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 4, while the other phenyl group is substituted by hydroxy groups at positions 3 and 5. | piceatannol |
| 3,4-dihydrocoumarin | A chromanone that is the 3,4-dihydro derivative of coumarin. | 3,4-dihydrocoumarin |
| 3,4,5-trimethoxybenzoic acid | A benzoic acid derivative carrying 3-, 4- and 5-methoxy substituents. | 3,4,5-trimethoxybenzoic acid |
| 3,5-dimethoxytoluene | A member of the class of toluenes that is toluene in which the hydrogens at positions 3 and 5 have been replaced by methoxy groups. It is the major scent compound of many rose varieties. | 3,5-dimethoxytoluene |
| 3'-methoxyflavone | The parent member of the class of 3'-methoxyflavones that is flavone which carries a methoxy group at the 3'-position. | 3'-methoxyflavone |
| 3'-o-methylorobol | A hydroxyisoflavone that is orobol in which the hydroxy group at position 3' has been replaced by a methoxy group. It has been isolated from Crotalaria lachnophora. | 3'-O-methylorobol |
| 4-aminobenzoic acid | An aminobenzoic acid in which the amino group is para to the carboxy group. | 4-aminobenzoic acid; 4-ammoniobenzoate |
| 4-aminobenzoic acid | An aromatic amino-acid anion that is the conjugate base of 4-aminobenzoic acid. | 4-aminobenzoate |
| 4-anisaldehyde | A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4. | p-methoxybenzaldehyde |
| 4-anisic acid | A methoxybenzoic acid substituted with a methoxy group at position C-4. | 4-methoxybenzoic acid |
| 4-carboxybenzaladehyde | A member of the class of benzoic acids that is benzoic acid substituted by a formyl group at position 4. | 4-formylbenzoic acid |
| 4-cymene | A monoterpene that is toluene substituted by an isopropyl group at position 4. | p-cymene |
| 4-hydroxyacetophenone | A monohydroxyacetophenone carrying a hydroxy substituent at position 4'. | 4'-hydroxyacetophenone |
| 4-hydroxybenzaldehyde | A hydroxybenzaldehyde that is benzaldehyde substituted with a hydroxy group at position C-4. | 4-hydroxybenzaldehyde |
| 4-hydroxybenzoic acid | A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring. | 4-hydroxybenzoic acid |
| 4-hydroxybenzyl alcohol | A member of the class of benzyl alcohols that is benzyl alcohol substituted by a hydroxy group at position 4. It has been isolated from Arcangelisia gusanlung. | p-hydroxybenzyl alcohol |
| 4-hydroxybenzylcyanide | A hydroxynitrile that is phenylacetonitrile substituted by a hydroxy group at position 4. | (4-hydroxyphenyl)acetonitrile |
| 4-hydroxychalcone | A member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 4. | 4-hydroxychalcone |
| 4-hydroxycordoin | A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at position 4 and 2' and a (3-methylbut-2-en-1-yl)oxy group at position 4'. It has been isolated from Lonchocarpus neuroscapha. | 4-hydroxycordoin |
| 4-hydroxyphenylacetic acid | A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group. | 4-hydroxyphenylacetic acid |
| 4-hydroxyphenylethanol | A phenol substituted at position 4 by a 2-hydroxyethyl group. | 2-(4-hydroxyphenyl)ethanol |
| 4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol | A terpineol that is 1-menthene carrying a hydroxy substituent at position 4. | 4-terpineol |
| 4-methyl-4-sulfanylpentan-2-one | An alkylthiol that is 4-methylpentan-2-one substituted at position 4 by a mercapto group. | 4-mercapto-4-methylpentan-2-one |
| 4-methylbenzaldehyde | A tolualdehyde compound with the methyl substituent at the 4-position. | p-tolualdehyde |
| 4-methylcatechol | A methylcatechol having a single methyl substituent at the 4-position. It has been isolated from Picea abies. | 4-methylcatechol |
| 4-methylumbelliferyl acetate | An acetate ester consiting of umbelliferone carrying a 7-O-acetyl group. | 4-methylumbelliferyl acetate |
| 4-vinylguaiacol | A member of the class of phenols that is guaiacol in which the hydrogen para- to the hydroxy group is replaced by a vinyl group. | 2-methoxy-4-vinylphenol |
| 4'-demethyldesoxypodophyllotoxin | A member of the class of furonaphthodioxoles that is (5R,5aR,8aR)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one substituted at position 5 by a 4-hydroxy-3,5-dimethoxyphenyl group. | 4'-demethyldeoxypodophyllotoxin |
| 4',5,6,7-tetramethoxyflavone | A tetramethoxyflavone that is the tetra-O-methyl derivative of scutellarein. | 4',5,6,7-tetramethoxyflavone |
| 4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid | A steroid acid that is ergosta-8,24(28)-dien-26-oic acid substituted by a methyl group at position 4 and oxo groups at positions 3, 7 and 11 (the 4alpha,5alpha stereoisomer). Isolated from Antrodia cinnamomea and Antrodia camphorata, it exhibits cytotoxic and anti-inflammatory activity. | zhankuic acid A |
| 5-deoxystrigol | | 5-deoxystrigol |
| 5-heptadecylresorcinol | A 5-alkylresorcinol that is resorcinol which is substituted by a heptadecyl group at position 5. It is found in wheat bran. | 5-heptadecylresorcinol |
| 5-hydroxy-3,3',4',7-tetramethoxyflavone | A monohydroxyflavone that is 5-hydroxyflavone which is substituted by methoxy groups at positions 3,3',4' and 7. | 5-hydroxy-3,3',4',7-tetramethoxyflavone |
| 5-hydroxytryptophan | The L-enantiomer of 5-hydroxytryptophan. | 5-hydroxy-L-tryptophan zwitterion; 5-hydroxy-L-tryptophan |
| 5-methoxyindole-2-carboxylic acid | An indolecarboxylic acid that is indole-2-carboxylic acid carrying an additional methoxy substituent at position 5. | 5-methoxyindole-2-carboxylic acid |
| 5-methoxypsoralen | A 5-methoxyfurocoumarin that is psoralen substituted by a methoxy group at position 5. | 5-methoxypsoralen |
| 5-o-caffeoylshikimic acid | A carboxylic ester obtained by formal condensation of the carboxy group of (E)-caffeic acid with the 5-hydroxy group of shikimic acid. | 5-[(E)-caffeoyl]shikimic acid |
| 5-o-methyllicoricidin | A member of the class of hydroxyisoflavans that is the 7-O-methyl derivative of licoricidin. Isolated from Glycyrrhiza uralensis, it exhibits antibacterial activity. | licorisoflavan A |
| 5,4'-dihydroxy-7,3'-dimethoxyflavone | A dimethoxyflavone that is luteolin in which the hydroxy groups at positions 7 and 3' are replaced by methoxy groups. | velutin |
| 5,6,7-trimethoxyflavone | A trimethoxyflavone that is the 5,6,7-trimethyl ether derivative of baicalein. It has been isolated from the plant Callicarpa japonica and has been shown to exhibit antiviral activity. | 5,6,7-trimethoxyflavone |
| 5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one | A member of the class of chromones that is 4H-chromen-4-one in which the hydrogens at positions 2,5,7 and 8 are replaced by methyl, hydroxy, hydroxy, and (3S,4R)-3-hydroxy-1-methylpiperidin-4-yl groups, respectively. It is an alkaloid initially isolated from Amoora rohituka and is a precursor of the anti-cancer compound flavopiridol. | rohitukine |
| 5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-one | 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. | cremastranone |
| 5,7-dihydroxy-4',6-dimethoxyflavone | A dimethoxyflavone that is the 6,4'-dimethyl ether derivative of scutellarein. | pectolinarigenin |
| 5,7-dimethoxyflavone | A dimethoxyflavone that is the 5,7-dimethyl ether derivative of chrysin. | chrysin 5,7-dimethyl ether |
| 5'-o-caffeoylquinic acid | A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 5-hydroxy group of quinic acid. | trans-5-O-caffeoyl-D-quinic acid |
| 6-deacetylnimbin | A limonoid that is nimbin in which the acetyloxy group at position 6 is replaced by a hydroxy hroup. It has been isolated from Azadirachta indica. | 6-deacetylnimbin |
| 6-methoxybenzoxazolinone | A 2-benzoxazolinone that is substituted by a methoxy group at position 6. | 6-methoxy-2-benzoxazolinone; Coixol |
| 6-methylsalicylic acid | A monohydroxybenzoic acid that is salicylic acid in which the hydrogen ortho to the carboxylic acid group is substituted by a methyl group. | 6-methylsalicylic acid |
| 6-tuliposide b | A 6-O-acyl-D-glucose in which the 6-acyl group is specified as (3S)-3,4-dihydroxy-2-methylidenebutanoyl. A secondary metabolite with potent antibacterial activity, occurring specifically in tulip anthers. | 6-tuliposide B |
| 6,6-dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol | A pinane monoterpenoid that is a bicyclo[3.1.1]heptane substituted by two methyl groups at position 6, a methylidene group at position 2 and a hydroxy group at position 3. | pinocarveol |
| 6,8-diprenylgenistein | A member of the class of 7-hydroxyisoflavones that is genistein substituted by prenyl groups at positions 6 and 8. It has been isolated from Derris scandens and Glycyrrhiza uralensis. | 5,7,4'-trihydroxy-6,8-diprenylisoflavone |
| 6''-o-malonyldaidzin | A glycosyloxyisoflavone that is daidzein substituted by a 6-O-(carboxyacetyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. | malonyldaidzin |
| 6h-dibenzo-(b,d)-pyran-6-one | A benzochromenone that is 6H-dibenzo[b,d]pyran substituted by an oxo group at position 6. | 6H-dibenzo[b,d]pyran-6-one |
| 7-deacetylgedunin | A limonoid that is the 7-deacetyl derivative of gedunin. It has been isolated from Azadirachta indica. | 7-deacetylgedunin |
| 7-demethylsuberosin | A hydroxycoumarin that is 7-hydroxycoumarin which is substituted at position 6 by a 3-methylbut-2-en-1-yl group. A natural product found in Citropsis articulata. | 7-demethylsuberosin |
| 7-deoxyloganic acid | A cyclopentapyran that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid substituted at positions 1 and 7 by beta-D-glucosyloxy and methyl groups respectively (the 1S,4aS,7S,7aR-diatereomer). | 7-deoxyloganic acid |
| 7-hydroxy-6,4'-dimethoxyisoflavone | A 4'-methoxyisoflavone that is isoflavone substituted by methoxy groups at positions 6 and 4' and a hydroxy group at position 7. | afrormosin |
| 7-hydroxycoumarin | A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7. | umbelliferone |
| 7-methylxanthine | An oxopurine that is xanthine in which the hydrogen attached to the nitrogen at position 7 is replaced by a methyl group. It is an intermediate metabolite in the synthesis of caffeine. | 7-methylxanthine |
| 7,8-dihydroxyflavone | A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8. A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8. A naturally occurring flavonoid produced by several plants, including the weed Tridax procumbens (coalbuttons or tridax daisy) and the tree Godmania aesculifolia, In animal models, it has shown efficacy against several diseases of the nervous system, including Alzheimer's, Parkinson's, and Huntington's. | 7,8-dihydroxyflavone |
| 7,8-dimethylalloxazine | A compound showing blue fluorescence, formed by a photolysis of riboflavin in acid or neutral solution. | 7,8-dimethylisoalloxazine; lumichrome |
| 8-prenylnaringenin | A trihydroxyflavanone that is (S)-naringenin having a prenyl group at position 8. | sophoraflavanone B |
| 9-hydroxy-10,12-octadecadienoic acid | A HODE that consists of (10E,12Z)-octadecadienoic acid with the hydroxy substituent located at position 9. | 9-HODE; alpha-dimorphecolic acid |
| 9-hydroxy-10,12,15-octadecatrienoic acid | A 9-HOTrE consisting of (10E,12Z,15Z)-octadecatrienoic acid in which the 9-hydroxy group has S-configuration. | 9(S)-HOTrE |
| abietic acid | An abietane diterpenoid that is abieta-7,13-diene substituted by a carboxy group at position 18. | abietic acid |
| abscisic acid | The naturally occurring (1'S)-(+) enantiomer of abscisic acid. It is an important sesquiterpenoid plant hormone which acts as a regulator of plant responses to environmental stresses such as drought and cold. | (+)-abscisic acid |
| absynthin | A dimeric sesquiterpene lactone that is produced by the plant Artemisia absinthium (Wormwood). The bitter tasting constituent of Absinthe. | absinthin |
| abyssinone i | A monohydroxyflavanone that is (2S)-2',2'-dimethyl-2,3-dihydro-2'H,4H-2,6'-bichromen-4-one carrying a hydroxy substituent at position 7. | abyssinone I |
| acacetin | A monomethoxyflavone that is the 4'-methyl ether derivative of apigenin. | 5,7-dihydroxy-4'-methoxyflavone |
| acetosyringone | A member of the class of acetophenones that is 1-phenylethanone substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5. | acetosyringone |
| acetovanillone | An aromatic ketone that is 1-phenylethanone substituted by a hydroxy group at position 4 and a methoxy group at position 3. | apocynin |
| acetyl aleuritolic acid | A pentacyclic triterpenoid isolated from the leaves of Garcia parviflora. | acetyl aleuritolic acid |
| acrovestone | A polyphenol that is isolated from Acronychia pedunculata and exhibits moderate antioxidant and antityrosinase activities. | acrovestone |
| acteoside | A glycoside that is the alpha-L-rhamnosyl-(1->3)-beta-D-glucoside of hydroxytyrosol in which the hydroxy group at position 4 of the glucopyranosyl moiety has undergone esterification by formal condensation with trans-caffeic acid. | acteoside |
| actinidine | A member of the class of cyclopentapyridines that is 6,7-dihydrocyclopenta[c]pyridine bearing two methyl substituents at positions 4 and 7. | actinidine |
| actinodaphine | An organic heteropentacyclic compound 6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]quinoline bering additional hydroxy and methoxy substituents at positions 10 and 11 respectively. | actinodaphnine |
| acuminatin | A neolignan that is 5-[(1E)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran carrying additional 3,4-dimethoxyphenyl, methyl and methoxy substituents at positions 2, 3 and 7 respectively. | acuminatin |
| adonixanthin | A carotenone that consists of beta,beta-caroten-4-one bearing two hydroxy substituents at positions 3 and 3' (the 3S,3'R diastereomer). | adonixanthin |
| afzelechin | A tetrahydroxyflavan that is (2S)-flavan substituted by hydroxy groups at positions 3, 5, 7 and 4' respectively. | afzelechin |
| agnuside | A benzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with the primary hydroxy group of aucubin. It is an iridoid glycoside found in several Vitex plants including Vitex agnus-castus. | agnuside |
| aica ribonucleotide | A 1-(phosphoribosyl)imidazolecarboxamide that is acadesine in which the hydroxy group at the 5' position has been converted to its monophosphate derivative. | AICA ribonucleotide |
| akuammicine | A monoterpenoid indole alkaloid with formula C20H22N2O2, isolated from several plant species including Alstonia spatulata, Catharanthus roseus and Vinca major. | akuammicine |
| alantolactone | A sesquiterpene lactone that is 3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2-one bearing two methyl substituents at positions 5 and 8a as well as a methylidene substituent at position 3. | alantolactone |
| albicanol | A drimane-type sesquiterpenoid orginally isolated from the liverwort Diplophyllum albicans. It exhibits fish antifeedant, antifungal and antineoplastic activities. | (+)-albicanol |
| albiflorin | A monoterpene glycoside with formula C23H28O11, originally isolated from the roots of Paeonia lactiflora. | albiflorin |
| alizarin | A dihydroxyanthraquinone that is anthracene-9,10-dione in which the two hydroxy groups are located at positions 1 and 2. | alizarin |
| allantoic acid | A member of the class of ureas that consists of acetic acid in which the two methyl hydrogens are replaced by carbamoylamino groups respectively. | allantoic acid |
| allyl alcohol | A propenol in which the C=C bond connects C-2 and C-3. It is has been found in garlic (Allium sativum). Formerly used as a herbicide for the control of various grass and weed seeds. | allyl alcohol |
| allyl cyanide | An aliphatic nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an allyl group. | allyl cyanide |
| allyl methyl disulfide | An organic disulfide having allyl and methyl as the two organic groups. | allyl methyl disulfide |
| aloe emodin | A dihydroxyanthraquinone that is chrysazin carrying a hydroxymethyl group at position 3. It has been isolated from plant species of the genus Aloe. | Aloe emodin |
| alpha phellandrene | One of a pair of phellandrene cyclic monoterpene double-bond isomers in which both double bonds are endocyclic (cf. alpha-phellandrene, where one of them is exocyclic). | alpha-phellandrene |
| alpha-bergamotene | A sesquiterpene consisting of a bicyclo[3.1.1]hept-2-ene skeleton substituted at positions 2 and 6 by methyl groups and at position 6 by a 4-methylpent-3-en-1-yl group. | alpha-bergamotene |
| alpha-cadinol | A cadinane sesquiterpenoid that is cadin-4-ene carrying a hydroxy substituent at position 10. | alpha-cadinol |
| alpha-carotene | A cyclic carotene with a beta- and an epsilon-ring at opposite ends respectively. | alpha-carotene |
| alpha-onocerin | A triterpenoid that is ethane in which each carbon has been substituted by a (1R,4aR,6S,8aS)-6-hydroxy-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl group. | alpha-onocerin |
| alpha-pinene | A pinene that is bicyclo[3.1.1]hept-2-ene substituted by methyl groups at positions 2, 6 and 6 respectively. | alpha-pinene |
| alpha-solanine | A glycoalkaloid poison found in species of the nightshade family (Solanaceae), such as the potato (Solanum tuberosum). It is a trisccharide derivative of solanidine [(22beta)-solanid-5-en-3beta-ol]. | solanine |
| alpha-terpinene | One of three isomeric monoterpenes differing in the positions of their two double bonds (beta- and gamma-terpinene being the others). In alpha-terpinene the double bonds are at the 1- and 3-positions of the p-menthane skeleton. | alpha-terpinene |
| alpha-terpineol | A terpineol that is propan-2-ol substituted by a 4-methylcyclohex-3-en-1-yl group at position 2. | alpha-terpineol |
| amaranthin betacyanin | A disaccharide derivative that is betanidin in which a beta-D-glucuronosyl-(1->2)-beta-D-glucosyl moiety is attached at position 5. | amaranthin |
| amentoflavone | A biflavonoid that is obtained by oxidative coupling of two molecules of apigenin resulting in a bond between positions C-3 of the hydroxyphenyl ring and C-8 of the chromene ring. A natural product found particularly in Ginkgo biloba and Hypericum perforatum. | amentoflavone |
| aminolevulinic acid | The simplest delta-amino acid in which the hydrogens at the gamma position are replaced by an oxo group. It is metabolised to protoporphyrin IX, a photoactive compound which accumulates in the skin. Used (in the form of the hydrochloride salt)in combination with blue light illumination for the treatment of minimally to moderately thick actinic keratosis of the face or scalp. | 5-aminolevulinic acid; 5-ammoniolevulinate |
| aminopropionitrile | An aminopropionitrile carrying an amino group at the beta-position. | beta-aminopropionitrile |
| ammodendrine | A piperidine alkaloid that is piperidine substituted by a 1-acetyl-1,4,5,6-tetrahydropyridin-3-yl group at position 2 (the 2R-stereoisomer). | ammodendrine |
| amygdalin | | amygdalin |
| amygdalin | An amygdalin in which the stereocentre on the cyanohydrin function has R-configuration. | (R)-amygdalin |
| anabasine | A pyridine alkaloid that is pyridine substituted by a piperidin-2-yl group at position 3. | anabasine |
| anacardic acid | A hydroxybenzoic acid that is salicylic acid substituted by a pentadecyl group at position 6. It is a major component of cashew nut shell liquid and exhibits an extensive range of bioactivities. | anacardic acid |
| anisole | A monomethoxybenzene that is benzene substituted by a methoxy group. | anisole |
| antheraxanthin | An epoxycarotenol that is beta-carotene-3,3'-diol in which one of the one of the endocyclic double bonds has been oxidised to the corresponding epoxide. It is a neutral yellow plant pigment found in Euglenophyta. | antheraxanthin |
| anthricin | A member of the class of furonaphthodioxoles that is (5R,5aR,8aR)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one substituted at position 5 by a 3,4,5-trimethoxyphenyl group. | deoxypodophyllotoxin |
| antofine | An organic heteropentacyclic compound that is (13aR)-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline substituted at positions 2, 3 and 6 by methoxy groups. It is an alkaloid produced by relatives of the milkweed family and exhibits antiviral, anti-inflammatory, antiadipogenic and antitumorigenic activities. | (-)-antofine |
| apigenin dimethylether | A dimethoxyflavone that is the 7,4'-dimethyl ether derivative of apigenin. | apigenin 7,4'-dimethyl ether |
| apiin | A beta-D-glucoside having a beta-D-apiosyl residue at the 2-position and a 5,4'-dihydroxyflavon-7-yl moiety at the anomeric position. | apiin |
| ar-turmerone | A sesquiterpenoid that is 2-methylhept-2-en-4-one substituted by a 4-methylphenyl group at position 6. It has been isolated from Peltophorum dasyrachis. | (+)-(S)-ar-turmerone |
| arachidic acid | A C20 striaght-chain saturated fatty acid which forms a minor constituent of peanut (L. arachis) and corn oils. Used as an organic thin film in the production of liquid crystals for a wide variety of technical applications. | icosanoic acid |
| arbutin | A monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. | hydroquinone O-beta-D-glucopyranoside |
| aromaticin | A sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8 and a methylidene group at position 3. Isolated from the aerial parts of Inula hupehensis, it exhibits anti-inflammatory activity. | aromaticin |
| artemisinin | A sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria. | (+)-artemisinin |
| ascaridole | A p-menthane monoterpenoid that is p-menth-2-ene with a peroxy group across position 1 to 4. | ascaridole |
| ascorbic acid | The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate. | L-ascorbic acid |
| asebogenin | A member of the class of dihydrochalcones that is the 4'-methyl ether derivative of phloretin. | asebogenin |
| aspalathin | A member of the class of dihydrochalcones that is the 2-C-beta-D-glucopyranide of phloroglucinol and which is substituted at position 4 by a 3-(3,4-dihydroxyphenyl)propanoyl group. A metabolite of red bush, Aspalathus linearis (and present in the herbal tea made from the leaves), aspalathin exhibits significant hypoglycemic activity. | aspalathin |
| asparagine | An optically active form of asparagine having L-configuration. | L-asparagine zwitterion; L-asparagine |
| astaxanthine | A carotenone that consists of beta,beta-carotene-4,4'-dione bearing two hydroxy substituents at positions 3 and 3' (the 3S,3'S diastereomer). A carotenoid pigment found mainly in animals (crustaceans, echinoderms) but also occurring in plants. It can occur free (as a red pigment), as an ester, or as a blue, brown or green chromoprotein. | astaxanthin |
| astilbin | A flavanone glycoside that is (+)-taxifolin substituted by a alpha-L-rhamnosyl moiety at position 3 via a glycosidic linkage. | astilbin |
| astragalin | A kaempferol O-glucoside in which a glucosyl residue is attached at position 3 of kaempferol via a beta-glycosidic linkage. | kaempferol 3-O-beta-D-glucoside |
| astragaloside ii | A triterpenoid saponin that is cycloastragenol glycosylated at positions 3 and 6 by 2-O-acetyl-beta-D-xylosyl and beta-D-glucosyl residues respectively. | astragaloside II |
| astragaloside IV | A pentacyclic triterpenoid that is cycloastragenol having beta-D-xylopyranosyl and beta-D-glucopyranosyl residues attached at positions O-3 and O-6 respectively. It is isolated from Astragalus membranaceus var mongholicus. | astragaloside IV |
| atractyligenine | A diterpenoid isolated from coffee silverskin. It inhibits cutaneous photoaging. | atractyligenin |
| aurapten | A member of the class of coumarins that is umbelliferone in which the phenolic hydrogen has been replaced by a geranyl group. Ii is isolated from several edible fruits and vegetables and exhibits a variety of therapeutic properties. | auraptene |
| aureusidin | A hydroxyaurone that is aurone substituted by hydroxy groups at positions 4, 6, 3' and 4' respectively. | aureusidin |
| avicularin | A quercetin O-glycoside in which an alpha-L-arabinofuranosyl residue is attached at position 3 of quercetin via a glycosidic linkage. It is isolated particularly from Juglans regia and Foeniculum vulgare. | avicularin |
| axillarin | A dimethoxyflavone that is the 3,6-dimethyl ether derivative of quercetagetin. | axillarin |
| ayanin | A trimethoxyflavone that is quercetin in which the hydroxy groups at positions 3, 4' and 7 have been replaced by methoxy groups. | 3',5-dihydroxy-3,4',7-trimethoxyflavone |
| azadiradione | A tetracyclic triterpenoid that is 4,4,8-trimethylandrosta-1,14-diene substituted by oxo groups at positions 3 and 16, an acetoxy group at position 7 and a furan-3-yl group at position 17. Isolated from Azadirachta indica, it exhibits antimycobacterial and anti-inflammatory activities. | azadiradione |
| azadirone | A tetracyclic triterpenoid that is 4,4,8-trimethylandrosta-1,14-diene substituted by an oxo group at position 3, an acetoxy group at position 7 and a furan-3-yl group at position 17. Isolated from Azadirachta indica, it exhibits antiplasmodial and antineoplastic activities. | azadirone |
| azaleatin | A monomethoxyflavone that is quercetin in which the hydroxy group at position 5 is replaced by a methoxy group. | azaleatin |
| azelaic acid | An alpha,omega-dicarboxylic acid that is heptane substituted at positions 1 and 7 by carboxy groups. | nonanedioic acid |
| azulene | A mancude carbobicyclic parent consisting of a cycloheptatriene and cyclopentadiene rings. | azulene |
| baccatin iii | A tetracyclic diterpenoid isolated from plant species of the genus Taxus. | baccatin III |
| baicalein | A trihydroxyflavone with the hydroxy groups at positions C-5, -6 and -7. | baicalein |
| baicalin | The glycosyloxyflavone which is the 7-O-glucuronide of baicalein. It is an active ingredient of Chinese herbal medicine Scutellaria baicalensis. | baicalin |
| baohuoside i | A glycosyloxyflavone that is 3,5,7-trihydroxy-4'-methoxy-8-prenylflavone in which the hydroxy group at position 3 has been converted into its alpha-L-rhamnopyranoside. | icariside II |
| behenic acid | A straight-chain, C22, long-chain saturated fatty acid. | docosanoic acid |
| benzaldehyde | An arenecarbaldehyde that consists of benzene bearing a single formyl substituent; the simplest aromatic aldehyde and parent of the class of benzaldehydes. | benzaldehyde |
| benzoic acid | A compound comprising a benzene ring core carrying a carboxylic acid substituent. | benzoic acid |
| benzophenone | The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups. | benzophenone |
| benzothiazole | An organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles. | benzothiazole |
| benzoylaconine | A diterpene alkaloid with formula C32H45NO10 that is isolated from several Aconitum species. | benzoylaconine |
| benzoylecgonine | A benzoate ester metabolite of cocaine formed by hydrolysis of the methyl ester group, catalysed by carboxylesterases. | ecgonine benzoate |
| benzoylmesaconine | A diterpene alkaloid with formula C31H43NO10 that is isolated from several Aconitum species. | benzoylmesaconine |
| benzyl benzoate | A benzoate ester obtained by the formal condensation of benzoic acid with benzyl alcohol. It has been isolated from the plant species of the genus Polyalthia. | benzyl benzoate |
| benzyl d-glucopyranoside | A beta-D-glucoside that is beta-D-glucopyranose in which the hydroxy group at position 1R is substituted by a benzyloxy group. | benzyl beta-D-glucopyranoside |
| benzylamine | A primary amine compound having benzyl as the N-substituent. It has been isolated from Moringa oleifera (horseradish tree). | benzylamine |
| benzylaminopurine | A member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group. | N-benzyladenine |
| beta carotene | A cyclic carotene obtained by dimerisation of all-trans-retinol. A strongly-coloured red-orange pigment abundant in plants and fruit and the most active and important provitamin A carotenoid. | beta-carotene |
| beta-aminopropionitrile fumarate (2:1) | A fumarate salt prepared from beta-aminopropionitrile by reaction of one molecule of fumaric acid for every two molecules of beta-aminopropionitrile. | beta-aminopropionitrile hemifumarate |
| beta-amyrin | A pentacyclic triterpenoid that is oleanane substituted at the 3beta-position by a hydroxy group and containing a double bond between positions 12 and 13. It is one of the most commonly occurring triterpenoids in higher plants. | beta-amyrin |
| beta-damascenone | A cyclic monoterpene ketone that is 2,6,6-trimethylcyclohexa-1,3-diene substituted at position 1 by a crotonoyl group. | beta-damascenone |
| beta-erythroidine | An organic heterotetracyclic indole alkaloid isolated from the seeds and other parts of Erythrina species. It differs from the alpha isomer in having the double bond of the dihydropyranone ring located beta,gamma- to the lactone carbonyl group instead of alpha,beta-. | beta-erythroidine |
| beta-glycerophosphoric acid | A glycerol monophosphate having the phosphate group at the 2-position. | glycerol 2-phosphate |
| beta-lapachone | A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities. | beta-lapachone |
| beta-ocimene | A beta-ocimene that consists of octa-1,3,6-triene bearing two methyl substituents at positions 3 and 7 (the 3Z-isomer). | (Z)-beta-ocimene |
| beta-peltatin | An organic heterotetracyclic compound that is alpha-peltatin in which the phenolic hydroxy group of the 4-hydroxy-3,5-dimethoxyphenyl substitutent had been converted into the corresponding methyl ether. | beta-peltatin |
| beta-phellandrene | One of a pair of phellandrene cyclic monoterpene double-bond isomers in which one double bond is exocyclic (cf. alpha-phellandrene, where both of them are endoocyclic). | beta-phellandrene |
| beta-pinene | An isomer of pinene with an exocyclic double bond. It is a component of essential oils from many plants. | beta-pinene |
| beta-thujaplicin | A monoterpenoid that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2 and an isopropyl group at position 4. Isolated from Thuja plicata and Chamaecyparis obtusa, it exhibits antimicrobial activities. | beta-thujaplicin |
| beta-tocopherol | A tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 5 and 8. While it is found in low concentrations in many vegetable oils, only cottonseed oil contains significant amounts. | beta-tocopherol |
| betaine aldehyde | A quaternary ammonium ion that is nitrogen substituted by three methyl groups and a 2-oxoethyl group. It is an intermediate in the metabolism of amino acids like glycine, serine and threonine. | betaine aldehyde |
| betulinic acid | A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-carboxy substituents. It is found in the bark and other plant parts of several species of plants including Syzygium claviflorum. It exhibits anti-HIV, antimalarial, antineoplastic and anti-inflammatory properties. | betulinic acid |
| bigelovin | A sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8, a methylidene group at position 3 and an acetoxy group at position 4. Isolated from Inula hupehensis, it exhibits antineoplastic activity. | bigelovin |
| biliatresone | A member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted at positions 5 by a 2-(2-hydroxyphenyl)-3-oxoprop-1-en-3-yl group and at positions 4 and 6 by methoxy groups. A very rare type of isoflavonoid-related 1,2-diaryl-2-propenone found in Dysphania glomulifera (red crumbweed) and D. littoralis, the enone moiety is particularly reactive, undergoing ready Michael addition of water and methanol. Biliatresone has been found to cause extrahepatic biliary atresia (obliteration or discontinuity of the extrahepatic biliary system, resulting in obstruction to bile flow) in a zebrafish model. | biliatresone |
| biochanin a | A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone which is substituted by an additional hydroxy group at position 5 and a methoxy group at position 4'. A phytoestrogen, it has putative benefits in dietary cancer prophylaxis. | biochanin A |
| brassicasterol | An 3beta-sterol that is (22E)-ergosta-5,22-diene substituted by a hydroxy group at position 3beta. It is a phytosterol found in marine algae, fish, and rapeseed oil. | brassicasterol |
| brazilin | A organic heterotetracyclic compound that is a red pigment obtained from the wood of Caesalpinia echinata (Brazil-wood) or Caesalpinia sappan (sappan-wood). | brazilin |
| bulbocapnine | An aporphine alkaloid that has been isolated from Corydalis and exhibits inhibitory activity against enzymes such as tyrosine 3-monooxygenase and diamine oxidase. | bulbocapnine |
| bursehernin | A butan-4-olide that is (-)-pluviatolide in which the phenolic hydroxy group has been converted to the corresponding methyl ether. | (-)-bursehernin |
| butein | A chalcone that is (E)-chalcone bearing four additional hydroxy substituents at positions 2', 3, 4 and 4'. | butein |
| butrin | A flavanone glycoside that is butin substituted by two beta-D-glucopyranosyl residues at positions 7 and 3' respectively. | butrin |
| cadaverine | An alkane-alpha,omega-diamine comprising a straight-chain pentane core with amino substitutents at positions 1 and 5. A colourless syrupy liquid diamine with a distinctive unpleasant odour, it is a homologue of putresceine and is formed by the bacterial decarboxylation of lysine that occurs during protein hydrolysis during putrefaction of animal tissue. It is also found in plants such as soyabean. | cadaverine |
| cafestol | An organic heteropentacyclic compound and furan diterpenoid with formula C20H28O3 obtained from the unsaponifiable fraction of coffee oil (a lipid fraction obtained from coffee beans by organic solvent extraction). | cafestol |
| caffeic acid | A hydroxycinnamic acid that is cinnamic acid in which the phenyl ring is substituted by hydroxy groups at positions 3 and 4. It exists in cis and trans forms; the latter is the more common. | caffeic acid |
| caffeine | A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee. | caffeine |
| calanolide a | An organic heterotetracyclic compound that is 11,12-dihydro-2H,6H,10H-dipyrano[2,3-f:2',3'-h]chromen-2-one substituted by a hydroxy group at position 12, methyl groups at positions 6, 6, 10 and 11 and a propyl group at position 4 (the 10R,11S,12S stereoisomer). Isolated from Calophyllum lanigerum var austrocoriaceum and Calophyllum brasiliense, it exhibits potent activity against HIV-1 reverse transcriptase. | (+)-calanolide A |
| camphene | A monoterpene with a bicyclic skeleton that is bicyclo[2.2.1]heptane substituted by geminal methyl groups at position 2 and a methylidene group at position 3. It is a widespread natural product found in many essential oils. | camphene |
| camphor, (+-)-isomer | A cyclic monoterpene ketone that is bornane bearing an oxo substituent at position 2. A naturally occurring monoterpenoid. | camphor |
| camptothecin | A pyranoindolizinoquinoline that is pyrano[3',4':6,7]indolizino[1,2-b]quinoline which is substituted by oxo groups at positions 3 and 14, and by an ethyl group and a hydroxy group at position 4 (the S enantiomer). | camptothecin |
| canadine, (s)-isomer | The (S)-enantiomer of canadine. | (S)-canadine |
| canaline | A non-proteinogenic L-alpha-amino acid that is L-homoserine in which the hydroxy group at position 4 is substituted by an aminooxy group. It has been isolated from legumes and plays an essential role in lugume chemical defense against insects. | L-canaline zwitterion; L-canaline |
| canavanine | A non-proteinogenic L-alpha-amino acid that is L-homoserine substituted at oxygen with a guanidino (carbamimidamido) group. Although structurally related to L-arginine, it is non-proteinogenic. | L-canavanine zwitterion; L-canavanine |
| cannabidiol | An cannabinoid that is cyclohexene which is substituted by a methyl group at position 1, a 2,6-dihydroxy-4-pentylphenyl group at position 3, and a prop-1-en-2-yl group at position 4. | cannabidiol |
| cannabigerol | A member of the class of resorcinols that is resorcinol which is substituted by a (2E)-3,7-dimethylocta-2,6-dien-1-yl group at position 2 and by a pentyl group at position 5. It is a natural product found in Cannabis sativa and Helichrysum species. | cannabigerol |
| capilliposide b | A triterpenoid saponin that consists of anagalligenin A substituted by a caproyl group at position 22 and a beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->2)]-alpha-L-arabinopyranosyl moiety at position 3 via a glycosidic linkage. It is isolated from the whole plants of Lysimachia capillipes and has been shown to exhibit potent cytotoxicity against human A-2780 cells. | capilliposide B |
| caprylic aldehyde | A saturated fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid). | octanal |
| capsanthin | | capsanthin |
| capsiate | A carboxylic ester obtained by formal condensation of the carboxy group of (6E)-8-methylnon-6-enoic acid with the benzylic hydroxy group of vanillyl alcohol. A non-pungent analogue of capsaicin with a similar biological profile. | capsiate |
| capsidiol | An eremophilane sesquiterpenoid that is (+)-5-epi-aristolochene bearing additional 1beta- and 3alpha-hydroxy substituents. It is a phytoalexin produced in Nicotiana and Capsicum plant species in response to pathogen attack. | capsidiol |
| carpaine | An alkaloid that forms a major component of the papaya leaves and has been shown to exhibit cardiovascular effects. | carpaine |
| carveol | A limonene monoterpenoid that is cyclohex-2-en-1-ol substituted by a methyl group at position 2 and a prop-1-en-2-yl group at position 5. | carveol |
| cassaine | A tricyclic diterpenoid isolated from several plant species of the genus Erythrophleum. | cassaine |
| casticin | A tetramethoxyflavone that consists of quercetagetin in which the hydroxy groups at positions 3, 6, 7 and 4' have been replaced by methoxy groups. It has been isolated from Eremophila mitchellii. | casticin |
| catechin | The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. | (+)-catechin |
| catechol | A benzenediol comprising of a benzene core carrying two hydroxy substituents ortho to each other. | catechol |
| cauloside D | A triterpenoid saponin with hederagenin as the aglycone part. It has been isolated from the stem bark of Kalopanax pictus. | cauloside D |
| centaureidin | A trihydroxyflavone that consists of quercetagetin in which the hydroxy groups at positions 3, 6 and 4' have been replaced by methoxy groups. It has been isolated from Eremophila mitchellii and Athroisma proteiforme. | centaureidin |
| cetyl alcohol | A long-chain primary fatty alcohol that is hexadecane substituted by a hydroxy group at position 1. | hexadecan-1-ol |
| chlorogenic acid | A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 3-hydroxy group of quinic acid. It is an intermediate metabolite in the biosynthesis of lignin. | chlorogenic acid |
| cholest-4-en-3-one | A cholestanoid that is cholest-4-ene substituted by an oxo group at position 3. | cholest-4-en-3-one |
| choline | A choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function. | choline |
| chorismic acid | The (3R,4R)-stereoisomer of 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid. | chorismic acid |
| chrysanthemic acid | A monocarboxylic acid that is cyclopropanecarboxylic acid substituted by two methyl groups at position 2 and a 2-methylprop-1-en-1-yl group at position 3. | chrysanthemic acid |
| chrysene | An ortho-fused polycyclic arene found commonly in the coal tar. | chrysene |
| chrysin | A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7. | chrysin |
| chrysophanic acid | A trihydroxyanthraquinone that is chrysazin with a methyl substituent at C-3. It has been isolated from Aloe vera and exhibits antiviral and anti-inflammatory activity. | chrysophanol |
| chrysopine | A spiroketal and delta-lactone resulting from the formal condensation of the carboxy group of L-glutamine with the anomeric hydroxy group of D-fructose and substitution of the 1-hydroxy group of the fructose by the alpha-amino group of the glutamine. It is found in crown gall tumours induced in chrysanthemums by Agrobacterium tumefaciens. | chrysopine |
| chrysosplenetin b | A tetramethoxyflavone that is the 3,6,7,3'-tetramethyl ether derivative of quercetagetin. | chrysosplenetin |
| chrysosplenol c | A trimethoxyflavone that is the 3,7,3'-trimethyl ether derivative of quercetagetin. | chrysosplenol C |
| cinnamaldehyde | The E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes. | (E)-cinnamaldehyde |
| cinnamtannin a2 | A proanthocyanidin isolated from Cinnamomum cassia. | cinnamtannin A2 |
| cinnamtannin b-1 | A proanthocyanidin found in Cinnamomum cassia and Cinnamomum zeylanicum. | cinnamtannin B-1 |
| cinnamyl acetate | | trans-cinnamyl acetate |
| cinnamyl alcohol | The E (trans) stereoisomer of cinnamyl alcohol. | (E)-cinnamyl alcohol |
| cirsilineol | A trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7 and 3' and hydroxy groups at positions 5 and 4' respectively. | cirsilineol |
| cirsiliol | A dimethoxyflavone that is flavone substituted by methoxy groups at positions 6 and 7 and hydroxy groups at positions 5, 3' and 4' respectively. | cirsiliol |
| citral | A monoterpenoid that is (2E,6E)-octa-2,6-dienal substituted by methyl groups at positions 3 and 7. | geranial |
| citramalate | A dicarboxylic acid dianion that is obtained by removal of a proton from both of the carboxylic acid groups of citramalic acid. | citramalate(2-) |
| citronellic acid | A monounsaturated fatty acid that is oct-6-enoic acid carrying methyl groups at positions 3 and 7. | citronellic acid |
| citronellol | A monoterpenoid that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7. | citronellol |
| citronellyl acetate | A monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix. | citronellol acetate |
| citrulline | Zwitterionic form of L-citrulline having an anionic carboxy group and a protonated amino group; major species at pH 7.3. | L-citrulline zwitterion; L-citrulline |
| cocaine | A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca. | cocaine |
| colchicine, (+-)-isomer | An alkaloid that is a carbotricyclic compound comprising 5,6,7,9-tetrahydrobenzo[a]heptalene having four methoxy substituents at the 1-, 2-, 3- and 10-positions as well as an oxo group at the 9-position and an acetamido group at the 7-position. It has been isolated from the plants belonging to genus Colchicum. | colchicine |
| colforsin | A labdane diterpenoid isolated from the Indian Coleus plant. | forskolin |
| columbianadin | An alpha,beta-unsaturated carboxylic ester obtained by formal condensation of the carboxy group of angelic acid with the hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol. | columbianadin |
| columbianetin acetate | An acetate ester obtained by formal acetylation of the tertiary hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol. | columbianetin acetate |
| conessine | A steroid alkaloid that is con-5-enine substituted by a N,N-dimethylamino group at position 3. It has been isolated from the plant species of the family Apocynaceae. | conessine |
| confertin | A pseudoguaianolide that is decahydroazuleno[6,5-b]furan-2(3H)-one substituted by an oxo group at position 5, methyl groups at positions 4a and 8 and a methylidene group at position 3. It has been isolated from the aerial parts of Inula hupehensis. | confertin |
| coniferaldehyde | A member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and a methoxy group at position 3. | coniferyl aldehyde |
| coniferin | A monosaccharide derivative that is coniferol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. | coniferin |
| coniferyl alcohol | A phenylpropanoid that is one of the main monolignols, produced by the reduction of the carboxy functional group in cinnamic acid and the addition of a hydroxy and a methoxy substituent to the aromatic ring. | coniferol |
| coronardine | A monoterpenoid indole alkaloid with formula C21H26N2O2. It is isolated from the flowering plant genus, Tabernaemontana. | (-)-coronaridine |
| corytuberine | An aporphine alkaloid that is aporphine which is substituted by hydroxy groups at positions 1 and 11, and by methoxy groups at positions 2 and 10 (the S enantiomer). | (S)-corytuberine |
| costatolide | An organic heterotetracyclic compound that is 11,12-dihydro-2H,6H,10H-dipyrano[2,3-f:2',3'-h]chromen-2-one substituted by a hydroxy group at position 12, methyl groups at positions 6, 6, 10 and 11 and a propyl group at position 4 (the 10S,11R,12S stereoisomer). Isolated from Calophyllum lanigerum var austrocoriaceum and Calophyllum brasiliense, it exhibits potent activity against HIV-1 reverse transcriptase. | (-)-calanolide B |
| cotinine | An N-alkylpyrrolidine that consists of N-methylpyrrolidinone bearing a pyridin-3-yl substituent at position C-5 (the 5S-enantiomer). It is an alkaloid commonly found in Nicotiana tabacum. | (-)-cotinine |
| coumarin | A chromenone having the keto group located at the 2-position. | coumarin |
| coumestan | A member of the class of coumestans that is 6H-[1]benzofuro[3,2-c]chromene substituted by an oxo group at position 6. | coumestan |
| coumestrol | A member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9. | coumestrol |
| crotonic acid | A but-2-enoic acid with a trans- double bond at C-2. It has been isolated from Daucus carota. | crotonic acid |
| cryptocaryol a | A member of the class of 2-pyranones that is 5,6-dihydro-2H-pyran-2-one substituted by a 2,4,6,8,10-pentahydroxypentacosyl group at position 6. It has been isolated from Cryptocarya species. | cryptocaryol A |
| 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. | cryptolepine |
| cryptoxanthins | A carotenol that exhibits antioxidant activity. It has been isolated from fruits such as papaya and oranges. | beta-cryptoxanthin |
| cubebin | A lignan that consists of tetrahydrofuran-2-ol substituted by two 1,3-benzodioxol-5-ylmethyl groups at positions 3 and 4 respectively (the 2S,3R,4R stereoisomer). It is isolated from the leaves of Piper nigrum and exhibits analgesic, anti-inflammatory, antimicrobial and trypanocidal activities. | (-)-cubebin |
| cucurbitacin i | A cucurbitacin that is 9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-triene substituted by hydroxy groups at positions 2, 16, 20 and 25 and oxo groups at positions 1, 11 and 22. | cucurbitacin I |
| cucurbitacin I 2-O-beta-D-glucopyranoside | A triterpenoid saponin that is cucurbitacin I attached to a beta-D-glucopyranosyl residue at position 2 via a glycosidic linkage. It has been isolated from Machilus yaoshansis. | cucurbitacin I 2-O-beta-D-glucopyranoside |
| cudraflavone c | A tetrahydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 7, 2' and 4' and prenyl groups at positions 3 and 6. Isolated from Morus nigra, it exhibits antibacterial and cytotoxic activities. | cudraflavone C |
| cumic acid | A cumic acid that consists of benzoic acid substituted by an isopropyl group at position 4. | p-cumic acid |
| cuminaldehyde | A member of the class of benzaldehydes that is benzaldehyde substituted by an isopropyl group at position 4. It is a component of essential oils from Cumin and exhibits insecticidal activities. | cuminaldehyde |
| cuminol | A member of the class of benzyl alcohols in which the hydrogen at position 4 on the phenyl ring of benzyl alcohol has been replaced by an isopropyl group. | 4-isopropylbenzyl alcohol |
| cyclanoline | A charged berberine alkaloid obtained by N-methylation of (S)-scoulerine. | cyclanoline |
| cyclic gmp | A 3',5'-cyclic purine nucleotide in which the purine nucleobase is specified as guanidine. | 3',5'-cyclic GMP |
| cycloartenol | | cycloartenol |
| cyclobenzaprine | A 9,11,13-octadecatrienoic acid having its double bonds in cis, trans and cis configurations, respectively. It has been isolated from pomegranate (Punica granatum). | (9Z,11E,13Z)-octadecatrienoic acid |
| cycloeucalenone | A pentacyclic triterpenoid that is 4alpha,14-dimethyl-9beta,19-cyclo-5alpha-ergost-24(28)-ene which is substituted by an oxo group at position 3. It has been isolated from several plant species including Quercus variabilis, Ammocharis coranica, Solanum cernuum and Tinospora crispa. | cycloeucalenone |
| cyclolaudenol | A pentacyclic triterpenoid that is (24S)-methyl-9beta,19-cyclolanost-25-ene which carries a hydroxy group at position 3beta. It is isolated from several plant species inclduing Turraeanthus and Tillandsia. | cyclolaudenol |
| cynarine | An alkyl caffeate ester obtained by the formal condensation of hydroxy groups at positions 1 and 3 of ()-quinic acid with two molecules of trans-caffeic acid. | 1,3-dicaffeoylquinic acid |
| cytisine | An organic heterotricyclic compound that is the toxic principle in Laburnum seeds and is found in many members of the Fabaceae (legume, pea or bean) family. An acetylcholine agonist, it is widely used throughout Eastern Europe as an aid to giving up smoking. | cytisine |
| d-alpha tocopherol | An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. | (R,R,R)-alpha-tocopherol |
| daidzein | A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by an additional hydroxy group at position 4'. | daidzein |
| daidzin | A glycosyloxyisoflavone that is daidzein attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It is used in the treatment of alcohol dependency (antidipsotropic). | daidzein 7-O-beta-D-glucoside |
| danthron | A dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 8. | chrysazin |
| dauricine | A bisbenzylisoquinoline alkaloid resulting from the formal oxidative dimerisation of 4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenol by attachment of the phenolic oxygen of one molecule to the benzene ring of the second (ortho to the phenolic hydroxy group of the latter). | dauricine |
| decanaldehyde | A saturated fatty aldehyde formally arising from reduction of the carboxy group of capric acid (decanoic acid). | decanal |
| decanoic acid | A C10, straight-chain saturated fatty acid. | decanoic acid |
| decaprenoic acid | A polyunsaturated fatty acid that is octa-2,6-dienoic acid bearing two methyl substituents at positions 3 and 7 (the 2E-isomer). | geranic acid |
| decussatin | A member of the class of xanthones that is xanthone substituted by a hydroxy group at position 1 and methoxy groups at positions 1, 2 and 6. It has been isolated from Centaurium erythraea and Gentiana verna. | decussatin |
| deguelin | A rotenone that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted by methoxy groups at positions 9 and 10, and by two methyl groups at position 3 (the 7aS,13aS-stereoisomer). It exists in abundant quantities in the bark, roots, and leaves of the Leguminosae family of plants and reported to exert anti-tumour effects in various cancers. | deguelin |
| dehydrodiconiferyl alcohol | A guaiacyl lignin obtained by cyclodimerisation of coniferol. | dehydrodiconiferyl alcohol |
| dehydrotomatine | A steroid alkaloid that consists of tomatine which has undergone formal dehydrogenation across positions 5 and 6. Found in tomatoes. | 5,6-dehydrotomatine |
| dehydrovomifoliol | A dehydrovomifoliol that has S-configuration at the chiral centre. | (6S)-dehydrovomifoliol |
| delphinidin | An anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at the 3-, 5- and 7-positions and a 3,4,5-trihydroxyphenyl group at the 2-position. It is a plant pigment responsible for the colours of the plants of the genera Viola and Delphinium. | delphinidin |
| delta-tocopherol | A tocopherol in which the chroman-6-ol core is substituted by a methyl group at position 8. It is found particularly in maize (corn) oil and soya bean (soybean) oils. | delta-tocopherol |
| delta(3)-hexadecenoic acid | A hexadecenoic acid having a trans-double bond at the 3-position. | (3E)-3-hexadecenoic acid |
| demethylzeylasteral | A carbopolycyclic compound with formula C29H36O6, originally isolated from Tripterygium wilfordii. | demethylzeylasteral |
| deoxyaconitine | A diterpene alkaloid with formula C34H47NO10 that is isolated from several Aconitum species. | deoxyaconitine |
| deoxyguanosine triphosphate | A purine 2'-deoxyribonucleoside 5'-triphosphate having guanine as the nucleobase. | dGTP |
| deoxyinosine | A purine 2'-deoxyribonucleoside that is inosine in which the hydroxy group at position 2' is replaced by a hydrogen. | 2'-deoxyinosine |
| diacetone alcohol | A beta-hydroxy ketone formed by hydroxylation of 4-methylpentan-2-one at the 4-position. It has been isolated from Achnatherum robustum. | diacetone alcohol |
| diallyl disulfide | An organic disulfide where the organic group specified is allyl. It has been isolated from garlic and other species of the genus Allium. | diallyl disulfide |
| digoxigenin | A hydroxy steroid that consists of 5beta-cardanolide having a double bond at the 20(22)-position as well as hydroxy groups at the 3beta-, 12beta- and 14beta-positions. It has been isolated from the plant species of the genus Digitalis. | digoxigenin |
| dihydroartemisinic acid | A monocarboxylic acid that is propanoic acid substituted at position 2 by a (1S,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl group. It is a sesquiterpenoid precursor of the antimalarial drug, artemisinin. | dihydroartemisinic acid |
| dihydrocarvone | A dihydrocarvone resulting from reduction of the endocyclic cyclohexene double bond. | dihydrocarvone |
| dihydrochalcone | A member of the class of dihydrochalcones that is acetophenone in which one of the hydrogens of the methyl group is replaced by a benzyl group. | dihydrochalcone |
| dihydroconiferyl alcohol | A member of class of phenols that is 2-methoxyphenol substituted by a 3-hydroxypropyl group at position 4. | dihydroconiferyl alcohol |
| dihydroconiferyl alcohol glucoside | A primary alcohol that is dihydroconiferyl alcohol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. | dihydroconiferyl alcohol glucoside |
| dihydroferulic acid | A monocarboxylic acid that is propanoic acid in which one of the hydrogens at position 3 has been replaced by a 4-hydroxy-3-methoxyphenyl group. | dihydroferulic acid |
| dihydrogenistin | A hydroxyisoflavanone that is dihydrogenistein in which the phenolic hydrogen at position 7 has been replaced by a beta-D-glucosyl residue. | dihydrogenistin |
| dihydropinosylvin | A member of the class of resorcinols carrying an additional 2-phenylethyl substituent at position 5. | dihydropinosylvin |
| dihydroresveratrol | A stilbenol that is 1,1'-ethane-1,2-diyldibenzene with hydroxy groups at positions 1, 3 and 4'. | dihydroresveratrol |
| dimethoxyphenylethylamine | An aromatic ether that is the derivative of 2-phenylethylamine with methoxy substituents at the 3- and 4-positions. It is an alkaloid isolated from the Cactaceae family. | 3,4-dimethoxyphenylethylamine |
| dimethyldiselenide | An organoselenium compound that is diselane covalently bound to two methyl groups. It has been detected in onion-family vegetables and soft-necked garlics. It induces ER stress and toxic protein aggregation in the budding yeast, S. cerevisiae and used as a reagent to identify distonic radical cations. | dimethyl diselenide |
| dimethylselenide | An organoselenium compound of two methyl groups covalently bound to a selenium. | dimethylselenide |
| diosmetin | A monomethoxyflavone that is the 4'-methyl ether derivative of luteolin. It is a natural product isolated from citrus fruits which exhibits a range of pharmacological activities. | diosmetin |
| diplopterol | A hopanoid that is hopane substituted by a hydroxy group at position 22. | hopan-22-ol |
| dipropylenetriame | | bis(3-aminopropyl)amine |
| discretamine | A berberine alkaloid isolated from Corydalis saxicola. | (S)-scoulerine |
| djenkolic acid | A dithioacetal consisting of two molecules of L-cysteine joined via their sulfanyl groups to methylene. | L-djenkolic acid |
| docosane | A straight-chain alkane with 22 carbon atoms. | docosane |
| docosanol | A long-chain primary fatty alcohol that is docosane substituted by a hydroxy group at position 1. It is a non-prescription medicine approved by the FDA to shorten healing time of cold sores. | docosan-1-ol |
| dodecanol | A primary alcohol that is dodecane in which a hydrogen from one of the methyl groups is replaced by a hydroxy group. It is registered for use in apple and pear orchards as a Lepidopteran pheromone/sex attractant, used to disrupt the mating behaviour of certain moths whose larvae destroy crops. | dodecan-1-ol |
| dodecyldimethylamine oxide | A tertiary amine oxide resulting from the formal oxidation of the amino group of dodecyldimethylamine. | dodecyldimethylamine N-oxide |
| dolichodial | A dialdehyde that is cyclopentanecarbaldehyde substituted by a methyl group at position 2 and a 3-oxo-prop-1-en-2yl group at position 5. It has been found to occur in pheromones of insects such as aphids. | dolichodial |
| e-z cinnamic acid | The E (trans) isomer of cinnamic acid | trans-cinnamic acid |
| ebc-46 | A diterpenoid natural product isolated from the kernels of the Australian blushwood tree (Fontainea picrosperma). It is approved as a veterinary pharmaceutical for the treatment of non-metastatic and non-resectable canine mast cell tumours. | tigilanol tiglate |
| ecdysterone | An ecdysteroid that is ecdysone substituted by a hydroxy group at position 20. | 20-hydroxyecdysone |
| echinuline | An indole alkaloid with formula C29H39N3O2. It is a fungal metabolite found in several Aspergillus species. | echinulin |
| egonol | A member of the class of 1-benzofurans that is 1-benzofuran substituted by a methoxy group at position 7, a 1,3-benzodioxol-5-yl group at position 2 and a 3-hydroxypropyl group at position 5. It has been isolated from Styrax agrestis. | egonol |
| eicosane | A straight chain alkane composed of 20 carbon atoms. It has been isolated from the leaves of Agave attenuata. | icosane |
| elemol | A sesquiterpenoid that is isopropanol which is substituted at position 2 by a (3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl group. | elemol |
| ellagic acid | An organic heterotetracyclic compound resulting from the formal dimerisation of gallic acid by oxidative aromatic coupling with intramolecular lactonisation of both carboxylic acid groups of the resulting biaryl. It is found in many fruits and vegetables, including raspberries, strawberries, cranberries, and pomegranates. | ellagic acid |
| ellipticine | A organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11. | ellipticine |
| embelin | A member of the class of dihydroxy-1,4-benzoquinones that is 2,5-dihydroxy-1,4-benzoquinone which is substituted by an undecyl group at position 3. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antimicrobial, antineoplastic and inhibitory activity towards hepatitis C protease. | embelin |
| emetine | A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties. | emetine |
| emodin | A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs. | emodin |
| ephedrine | A phenethylamine alkaloid that is 2-phenylethanamine substituted by a methyl group at the amino nitrogen and a methyl and a hydroxy group at position 2 and 1 respectively. | (-)-ephedrine |
| epiafzelechin | A catechin derivative having (2R,3R)-configuration. | (-)-epiafzelechin |
| epigallocatechin gallate | A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin. | (-)-epigallocatechin 3-gallate |
| epipinoresinol | An enantiomer of pinoresinol having (+)-(1R,3aR,4S,6aR)-configuration. | epipinoresinol |
| epoxyazadiradione | A limonoid that is azadiradione with an epoxy group across positions 14 and 15. Isolated from Azadirachta indica it exhibits insecticidal activitry against mosquitoes. | epoxyazadiradione |
| ergolide | A sesquiterpene lactone that is decahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8, a methylidene group at position 3 and an acetyloxy group at position 4. It has been isolated from the aerial parts of Inula hupehensis. | ergolide |
| ergothioneine | A L-histidine derivative that is N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine in which the hydrogen at position 2 on the imdazole ring is replaced by a mercapto group. A naturally occurring metabolite of histidine synthesized by bacteria and fungi with antioxidant properties. It is found ubiquitously in plants and animals and is present in many human foodstuffs. | ergothioneine thione form; ergothioneine |
| ergothioneine | A L-histidine derivative that is N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine in which the hydrogen at position 2 on the imdazole ring is replaced by a thioxo group. | ergothioneine thione form; ergothioneine |
| eriodictyol 7-O-beta-D-glucopyranoside | A flavanone glycoside that is eriodictyol attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It is an Nrf2 activator and provides protection against cisplatin-induced toxicity. | eriodictyol 7-O-beta-D-glucopyranoside |
| ermanin | A dimethoxyflavone that is kaempferol in which the hydroxy groups at position 3 and 4' have been replaced by methoxy groups. It is a component of bee glue and isolated from several plant species including Tanacetum microphyllum. | 3,4'-dimethylkaempferol |
| erucyl amide | A primary fatty amide resulting from the formal condensation of the carboxy group of erucic acid with ammonia. It is commonly used as a slip additive in the plastic manufacturing industry. | erucamide |
| erythritol | The meso-diastereomer of butane-1,2,3,4-tetrol. | erythritol |
| erythrodiol | A pentacyclic triterpenoid that is beta-amyrin in which one of the hydrogens of the methyl group at position 28 has been replaced by a hydroxy group. It is a plant metabolite found in olive oil as well as in Rhododendron ferrugineum and other Rhododendron species. | erythrodiol |
| erythrose | The D-enantiomer of erythrose. | D-erythrose |
| esculetin | A hydroxycoumarin that is umbelliferone in which the hydrogen at position 6 is substituted by a hydroxy group. It is used in filters for absorption of ultraviolet light. | esculetin |
| estragole | A phenylpropanoid that is chavicol in which the hydroxy group is replaced by a methoxy group. | estragole |
| ethane | An alkane comprising of two carbon atoms. | ethane |
| ethyl 2-methylpropanoate | A fatty acid ethyl ester obtained by the formal condensation of isobutyric acid with ethanol. | ethyl isobutyrate |
| ethyl acetoacetate | An ethyl ester resulting from the formal condensation of the carboxy group of acetoacetic acid with ethanol. | ethyl acetoacetate |
| ethyl butyrate | A butyrate ester resulting from the formal condensation of the hydroxy group of ethanol with the carboxy group of butyric acid. | ethyl butyrate |
| ethyl formate | A formate ester resulting from the formal condensation of formic acid with ethanol. | ethyl formate |
| ethyl gallate | A gallate ester obtained by the formal condensation of gallic acid with ethanol. | ethyl gallate |
| ethyl linoleate | A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of linoleic acid with the hydroxy group of ethanol. | ethyl linoleate |
| ethyl oleate | A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of oleic acid with the hydroxy group of ethanol. | ethyl oleate |
| ethyl palmitate | A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of ethanol. | ethyl hexadecanoate |
| ethyl protocatechuate | An ethyl ester resulting from the formal condensation of the carboxy group of 3,4-dihydroxybenzoic acid with ethanol. It is the anti-oxidative component of peanut seed testa. | ethyl 3,4-dihydroxybenzoate |
| ethyl stearate | An octadecanoate ester obtained by formal condensation between the carboxy group of octadecanoic (stearic) acid and the hydroxy group of ethanol. | ethyl octadecanoate |
| ethyl-p-hydroxybenzoate | An ethyl ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with ethanol, | ethylparaben |
| euonine | A sesquiterpene alkaloid that has been isolated from Tripterygium wilfordii and exhibits immunosuppressive and insecticidal properties. It was found to be identical with euonine, previously isolated from Euonymous sieboldiana. | wilformine |
| eupatolide | A germacranolide with formula C15H20O3, isolated from several Inula species. It exhibits anti-cancer properties. | eupatolide |
| eupomatenoid 6 | 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. | rataniaphenol II |
| euscaphic acid | A pentacyclic triterpenoid that is urs-12-en-28-oic acid substituted by hydroxy groups at positions 2, 3 and 19 respectively (the 2alpha,3alpha-stereoisomer). It has been isolated from the leaves of Rosa laevigata. | euscaphic acid |
| euxanthone | A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1 and 7 and an oxo group at position 9. It has been isolated from Cratoxylum cochinchinense. | euxanthone |
| fangchinoline | A bisbenzylisoquinoline alkaloid that is (1beta)- berbaman which has been substituted by methyl groups at the 2 and 2' positions, by methoxy groups at the 6, 6', and 12 positions, and by a hydroxy group at position 7. Isolated from Stephania tetrandra, it has been found to possess neuroprotective and anti-tumour activity. | fangchinoline |
| farnesol | The (2-trans,6-trans)-stereoisomer of farnesol. | (2-trans,6-trans)-farnesol |
| fenchone, (+-)-isomer | A carbobicyclic compound that is fenchane in which the hydrogens at position 2 are replaced by an oxo group. It is a component of essential oil from fennel (Foeniculum vulgare). | fenchone |
| ferruginol | An abietane diterpenoid that is abieta-8,11,13-triene substituted by a hydroxy group at positions 12. | ferruginol |
| ferulic acid | A ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 3 and 4 respectively on the phenyl ring. | ferulic acid |
| ficusin | The simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifolia. | psoralen |
| fisetin | A 7-hydroxyflavonol with additional hydroxy groups at positions 3, 3' and 4'. | fisetin |
| formononetin | A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by a methoxy group at position 4'. | formononetin |
| fraxin | 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. | fraxin |
| friedelin | A pentacyclic triterpenoid that is perhydropicene which is substituted by an oxo group at position 3 and by methyl groups at the 4, 4a, 6b, 8a, 11, 11, 12b, and 14a-positions (the 4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS,14bS-enantiomer). It is the major triterpenoid constituent of cork. | friedelin |
| furaneol | A member of the class of furans that is 2,5-dimethylfuran carrying additional oxo and hydroxy groups at positions 3 and 4 respectively. It has been found particularly in strawberries and other such fruits. | 4-hydroxy-2,5-dimethylfuran-3-one |
| galangin | A 7-hydroxyflavonol with additional hydroxy groups at positions 3 and 5 respectively; a growth inhibitor of breast tumor cells. | galangin |
| galantamine | A benzazepine alkaloid isolated from certain species of daffodils. | galanthamine |
| galgravin | A member of the class of aryltetrahydrofurans carrying two 3,4-dimethoxyphenyl substituents at positions 2 and 5 as well as two methyl groups at positions 3 and 4. | galgravin |
| gallic acid | A trihydroxybenzoic acid in which the hydroxy groups are at positions 3, 4, and 5. | gallic acid |
| gallocatechin-3-gallate | A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of (+)-gallocatechin. | (+)-gallocatechin gallate |
| gallocatechol | A flavan-3,3',4',5,5',7-hexol having (2R,3R)-configuration. | (-)-epigallocatechin |
| gamma-linolenic acid | A C18, omega-6 acid fatty acid comprising a linolenic acid having cis- double bonds at positions 6, 9 and 12. | gamma-linolenic acid |
| gamma-mangostin | A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1, 3, 6 and 7, an oxo group at position 9 and prenyl groups at positions 2 and 8. Isolated from the stems of Cratoxylum cochinchinense, it exhibits antitumour activity. | gamma-mangostin |
| gamma-sitosterol | A member of the class of phytosterols that is poriferast-5-ene carrying a beta-hydroxy substituent at position 3. | clionasterol |
| gamma-terpinene | One of three isomeric monoterpenes differing in the positions of their two double bonds (alpha- and beta-terpinene being the others). In gamma-terpinene the double bonds are at the 1- and 4-positions of the p-menthane skeleton. | gamma-terpinene |
| gamma-tocopherol | A tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 7 and 8. It is found particularly in maize (corn) oil and soya bean (soybean) oils. | gamma-tocopherol |
| gamma-tocotrienol | A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 7 and 8 and a farnesyl chain at position 2. A vitamin E family member that has potent anti-cancer properties against a wide-range of cancers. | gamma-tocotrienol |
| gancaonin I | A member of the class of 1-benzofurans which consists of 1-benzofuran substituted by methoxy groups at positions 4 and 6, a prenyl group at position 5 and a 2,4-dihydroxyphenyl group at position 2. It has been isolated from Glycyrrhiza uralensis. | gancaonin I |
| gardenia yellow | A diester that is crocetin in which both of the carboxy groups have been converted to their gentiobiosyl esters. It is one of the water-soluble yellow-red pigments of saffron and is used as a spice for flavouring and colouring food. Note that in India, the term 'Crocin' is also used by GlaxoSmithKline as a brand-name for paracetamol. | crocin-1 |
| gardenin b | A tetramethoxyflavone that is tangeretin in which the methoxy group at position 5 has been replaced by a hydroxy group. | gardenin B |
| gartanin | A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 5 and 8 and prenyl groups at positions 2 and 4. | gartanin |
| gedunin | A pentacyclic triterpenoid natural product found particularly in Azadirachta indica and Cedrela odorata. | gedunin |
| genistein | A 7-hydroxyisoflavone with additional hydroxy groups at positions 5 and 4'. It is a phytoestrogenic isoflavone with antioxidant properties. | genistein |
| genistein-8-c-glucoside | A C-glycosyl compound that is genistein substituted by a beta-D-glucopyranosyl residue at position 8 via a C-glucosidic linkage. | genistein 8-C-glucoside |
| gentiacaulein | A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 2 and 8 and methoxy groups at positions 1 and 6. | gentiacaulein |
| gentisein | A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 7. | gentisein |
| gentisin | A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 7 and a methoxy group at position 3. | gentisin |
| geraniol | A monoterpenoid consisting of two prenyl units linked head-to-tail and functionalised with a hydroxy group at its tail end. | geraniol |
| geranyl acetate | A monoterpenoid that is the acetate ester derivative of geraniol. | geranyl acetate |
| geranylacetone | A monoterpene ketone in which an (E)-geranyl group is bonded to one of the alpha-methyls of acetone. It is a component of essential oils from various plants including Nelumbo nucifera. | geranyl acetone |
| germacrone | A germacrane sesquiterpenoid that has formula C15H22O. It is a natural product found in traditional medicinal plants of the family Zingiberaceae. The compound exhibits a range of pharmacological activities including anti-inflammatory, anticancer, antiviral, anti-androgenic, antioxidant, antimicrobial, antifungal, neuroprotective and insecticidal activities. | (E,E)-germacrone |
| gibberellic acid | A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi,it differs from gibberellin A1 in the presence of a double bond between C-3 and C-4. | gibberellin A3 |
| gibberellin a1 | A C19-gibberellin, initially identified in Gibberella fujikuroi. | gibberellin A1 |
| gingerol | A beta-hydroxy ketone that is 5-hydroxydecan-3-one substituted by a 4-hydroxy-3-methoxyphenyl moiety at position 1; believed to inhibit adipogenesis. It is a constituent of fresh ginger. | gingerol |
| ginsenoside f1 | A ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 pro-S positions, in which the hydroxy group at position 20 has been converted to the corresponding beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position. | ginsenoside F1 |
| ginsenoside f2 | A ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy groups at positions 3 and 20 have been converted to the corresponding beta-D-glucopyranosides, and in which a double bond has been introduced at the 24-25 position. | ginsenoside F2 |
| ginsenoside m1 | A ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy group at position 20 has been converted to the corresponding beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position. | ginsenoside C-K |
| ginsenoside rb1 | A ginsenoside found in Panax ginseng and Panax japonicus var. major that is ginsenoside Rd in which the beta-D-glucopyranoside group at position 20 is replaced by a beta-D-glucopyranosyl-beta-D-glucopyranoside group. | ginsenoside Rb1 |
| ginsenoside rb2 | A ginsenoside found in Panax ginseng that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy groups at positions 3 and 20 have been converted to the corresponding beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside and alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranoside respectively, and in which a double bond has been introduced at the 24-25 position. | ginsenoside Rb2 |
| ginsenoside rb3 | A ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy groups at positions 3 and 20 have been converted to the corresponding beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside and beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside respectively, and in which a double bond has been introduced at the 24-25 position. | ginsenoside Rb3 |
| ginsenoside rc | A ginsenoside found in Panax ginseng that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy groups at positions 3 and 20 have been converted to the corresponding beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside and alpha-L-arabinofuranosyl-(1->6)-beta-D-glucopyranoside respectively, and in which a double bond has been introduced at the 24-25 position. | ginsenoside Rc |
| ginsenoside rd | A ginsenoside found in Panax ginseng and Panax japonicus var. major that is (20S)-ginsenoside Rg3 in which the hydroxy group at position 20 has been converted to its beta-D-glucopyranoside. | ginsenoside Rd |
| ginsenoside re | A ginsenoside found in Panax ginseng that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 pro-S positions, in which the hydroxy groups at positions 6 and 20 have been converted to the corresponding alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside and beta-D-glucopyranoside respectively, and in which a double bond has been introduced at the 24-25 position. | ginsenoside Re |
| ginsenoside rf | A ginsenoside found in Panax ginseng and Panax japonicus var. major that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 pro-S positions, in which the hydroxy group at position 6 has been converted to the corresponding beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position. | ginsenoside Rf |
| ginsenoside rg2 | A ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 pro-S positions, in which the hydroxy group at position 6 has been converted to the corresponding alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position. | ginsenoside Rg2 |
| ginsenoside rg3 | A ginsenoside found in Panax ginseng and Panax japonicus var. major that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy group at position 3 has been converted to the corresponding beta-D-glucopyranosyl-beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position. | (20S)-ginsenoside Rg3 |
| ginsenoside rh1 | A tetracyclic triterpenoid that is (20S)-protopanaxadiol which is substituted by beta-D-glucoside at the 6alpha position. | (20S)-ginsenoside Rh1 |
| ginsenoside rh2 | A ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy group at position 3 has been converted to the corresponding beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position. | (20S)-ginsenoside Rh2 |
| glabranin | A dihydroxyflavanone that is pinocembrin substituted by a prenyl group at position 8. | glabranin |
| glaucarubinone | A quassinoid with formula C25H34O10. It is a natural product isolated from several plant species and exhibits anti-cancer and anti-malarial properties. | glaucarubinone |
| glaucine | An aporphine alkaloid that is (S)-1,2,9,10-tetrahydroxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline in which the four phenolic hydrogens have been replaced by methyl groups. | (S)-glaucine |
| glyasperin D | A member of the class of hydroxyisoflavans that is (R)-isoflavan substituted by hydroxy groups at positions 2' and 4', methoxy groups at positions 5 and 7 and a prenyl group at position 6. It has been isolated from Glycyrrhiza uralensis. | glyasperin D |
| glyceryl behenate | A fatty acid ester resulting from the formal condensation of the hydroxy group at position-1 of glycerol with the carboxy group of docosanoic acid. | 1-behenoylglycerol |
| glyceryl ferulate | An enoate ester obtained by formal condensation of the carboxy group of trans-ferulic acid with the 1-hydroxy group of glycerol. | 1-feruloyl-sn-glycerol |
| glycitein | A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 7 and 4'. It has been isolated from the mycelia of the fungus Cordyceps sinensis. | glycitein |
| glycitin | A glycosyloxyisoflavone that is isoflavone substituted by a methoxy group at position 6, a hydroxy group at position 4' and a beta-D-glucopyranosyloxy group at position 7. | glycitin |
| glycycoumarin | 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 prenyl group at position 6 and a 2,4-dihydroxyphenyl group at position 3. Isolated from Glycyrrhiza uralensis, it exhibits antispasmodic activity. | glycycoumarin |
| glycyrin | A member of the class of coumarins that is coumarin substituted by methoxy groups at positions 5 and 7, a prenyl group at position 6 and a 2,4-dihydroxyphenyl group at position 3. Isolated from Glycyrrhiza uralensis, it exhibits antibacterial activity. | glycyrin |
| glycyrrhetinic acid | A pentacyclic triterpenoid that is olean-12-ene substituted by a hydroxy group at position 3, an oxo group at position 11 and a carboxy group at position 30. | glycyrrhetinic acid |
| glycyrrhetyl 3-monoglucuronide | A triterpenoid saponin that is the 3-O-beta-glucuronide of glycyrrhetic acid. It is a metabolite of glycyrrhizin contained in licorice and potentially a causative agent in the pathogenesis of pseudoaldosteronism. | glycyrrhetic acid 3-O-glucuronide |
| glycyrrhizic acid | A triterpenoid saponin that is the glucosiduronide derivative of 3beta-hydroxy-11-oxoolean-12-en-30-oic acid. | glycyrrhizinic acid |
| goitrin | A 5-ethenyl-1,3-oxazolidine-2-thione that has R-configuration. It is a constituent of a traditional Chinese herbal medicine, Radix isatidis. | (R)-goitrin |
| gossypetin | A hexahydroxyflavone having the hydroxy groups placed at the 3-, 3'-, 4'-, 5- 7- and 8-positions. | gossypetin |
| gossypin | A glycosyloxyflavone that is gossypetin attached to a beta-D-glucopyranosyl residue at position 8 via a glycosidic linkage. | gossypin |
| gramine | An aminoalkylindole that is indole carrying a dimethylaminomethyl substituent at postion 3. | gramine |
| guaiacol | A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position. | guaiacol |
| guanosine diphosphate mannose | The alpha-anomer of GDP-D-mannose. | GDP-alpha-D-mannose |
| guvacine | A alpha,beta-unsaturated monocarboxylic acid that is nicotinic acid which has been hydrogenated at the 1-2 and 5-6 positions of the pyridine ring. | guvacine |
| guvacoline | The methyl ester of guvacine. | guvacoline |
| gypenoside LXXV | A ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy group at position 20 has been converted to the corresponding beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position. | gypenoside LXXV |
| gypenoside XVII | A ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy groups at positions 3 and 20 have been converted to the corresponding beta-D-glucopyranoside and beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside respectively, and in which a double bond has been introduced at the 24-25 position. | gypenoside XVII |
| harman | An indole alkaloid fundamental parent with a structure of 9H-beta-carboline carrying a methyl substituent at C-1. It has been isolated from the bark of Sickingia rubra, Symplocus racemosa, Passiflora incarnata, Peganum harmala, Banisteriopsis caapi and Tribulus terrestris, as well as from tobacco smoke. It is a specific, reversible inhibitor of monoamine oxidase A. | harman |
| hederagenin | A sapogenin that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 3 and 23 (the 3beta stereoisomer). | hederagenin |
| helenalin | A sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by a hydroxy group at position 4, methyl groups at positions 4a and 8 and a methylidene group at position 3 (the 3aS,4S,4aR,7aR,8R,9aR stereoisomer). | helenalin |
| heliamine | An isoquinoline that is 1,2,3,4-tetrahydroisoquinoline substituted by methoxy groups at positions 6 and 7. | heliamine |
| helioxanthin | A furonaphthodioxole that is furo[3',4':6,7]naphtho[1,2-d][1,3]dioxol-7(9H)-one substituted by a 1,3-benzodioxol-5-yl group at posiiton 10. It is a inhibitor of HBV, HCV and HSV-1 viruses. | helioxanthin |
| helveticoside | A cardenolide glycoside that consists of strophanthidin having a digitoxosyl group attached at position 3. | helveticoside |
| hematoxylin | 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. | haematoxylin |
| hemimellitene | A trimethylbenzene carrying methyl groups at positions 1, 2 and 3. It has been found in Centaurium erythraea. | 1,2,3-trimethylbenzene |
| heptadecane | A straight-chain alkane with 17 carbon atoms. It is a component of essential oils from plants like Opuntia littoralis and Annona squamosa. | heptadecane |
| heptanoic acid | A C7, straight-chain fatty acid that contributes to the odour of some rancid oils. Used in the preparation of esters for the fragrance industry, and as an additive in cigarettes. | heptanoic acid |
| heptanol | A primary alcohol that is heptane substituted by a hydroxy group at position 1. It has been isolated from Capillipedium parviflorum. | heptan-1-ol |
| herbacetin | A pentahydroxyflavone that is kaempferol substituted by a hydroxy group at position 8. It is a natural flavonoid from flaxseed which exerts antioxidant, anti-inflammatory and anticancer activities. | herbacetin |
| hesperetin | A trihydroxyflavanone having the three hydroxy gropus located at the 3'-, 5- and 7-positions and an additional methoxy substituent at the 4'-position. | hesperetin |
| hetacillin | A lignan that consists of tetrahydrofuran substituted by a 3,4-dihydroxyphenyl group at position 2, a hydroxymethyl group at position 3 and a 4-hydroxy-3-methoxybenzyl group at position 4. It has been isolated from Taxus yunnanensis. | taxiresinol |
| hexanoic acid | A C6, straight-chain saturated fatty acid. | hexanoic acid |
| hispidol | A hydroxyaurone that is aurone substituted by hydroxy groups at positions 6 and 4' respectively. | hispidol |
| hispidulin | A monomethoxyflavone that is scutellarein methylated at position 6. | hispidulin |
| homogentisic acid | A dihydroxyphenylacetic acid having the two hydroxy substituents at the 2- and 5-positions. | homogentisic acid |
| huperzine a | A sesquiterpene alkaloid isolated from a club moss Huperzia serrata that has been shown to exhibit neuroprotective activity. It is also an effective inhibitor of acetylcholinesterase and has attracted interest as a therapeutic candidate for Alzheimer's disease. | huperzine A |
| hydrangenol | A member of the class of dihydroisocoumarins that is 3,4-dihydroisocoumarin substituted by a hydroxy group at position 8 and a 4-hydroxyphenyl group at position 3. It has been isolated from the roots of Scorzonera judaica and exhibits anti-allergic activity. | hydrangenol |
| hydroxyproline | An optically active form of 4-hydroxyproline having L-trans-configuration. | trans-4-hydroxy-L-proline zwitterion; trans-4-hydroxy-L-proline |
| hydroxysitosterol | A 3beta-hydroxy steroid that is sitosterol substituted by an additional alpha-hydroxy group at position 7. It has been isolated from the roots of Breynia fruticosa. | stigmast-5-ene-3beta,7alpha-diol |
| hygrine | A 1-(1-methylpyrrolidin-2-yl)acetone that has R configuration. It is a pyrrolidine alkaloid found in the coca plant, Erythroxylum coca. | hygrine |
| hyperoside | A quercetin O-glycoside that is quercetin with a beta-D-galactosyl residue attached at position 3. Isolated from Artemisia capillaris, it exhibits hepatoprotective activity. | quercetin 3-O-beta-D-galactopyranoside |
| iberin | An isothiocyanate that is 1-isothiocyanatopropane in which a hydrogen at position 3 has been replaced by a methylsulfinyl group. A glucosinolate hydrolysis product found in many members of the Brassicaceae family, it is a quorum-sensing inhibitor (QSI) of the bacterial pathogen Pseudomonas aeruginosa. | iberin |
| indol-3-yl pyruvic acid | A 2-oxo monocarboxylic acid that is pyruvic acid substituted by a 1H-indol-3-yl group at position 3. It has been found in Lycopersicon esculentum | 3-(indol-3-yl)pyruvic acid |
| indole-3-acetonitrile | A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 1H-indol-3-yl group. | indole-3-acetonitrile |
| indole-3-carbaldehyde | A heteroarenecarbaldehyde that is indole in which the hydrogen at position 3 has been replaced by a formyl group. | indole-3-carbaldehyde |
| indole-3-carbinol | An indolyl alcohol carrying a hydroxymethyl group at position 3. It is a constituent of the cruciferous vegetables and had anticancer activity. | indole-3-methanol |
| indole-5-carboxylic acid | An indolecarboxylic acid in which the carboxy group is the only substituent and is located at position 5. | indole-5-carboxylic acid |
| indoleacetamide | A member of the class of indoles that is acetamide substituted by a 1H-indol-3-yl group at position 2. It is an intermediate in the production of plant hormone indole acetic acid (IAA). | indole-3-acetamide |
| indoleacetic acid | A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1H-indol-3-yl group. | indole-3-acetic acid |
| indolebutyric acid | A indol-3-yl carboxylic acid that is butanoic acid carrying a 1H-indol-3-yl substituent at position 1. | indole-3-butyric acid |
| indolepropionic acid | An indol-3-yl carboxylic acid that is propionic acid substituted by a 1H-indol-3-yl group at position 3. | 3-(1H-indol-3-yl)propanoic acid |
| indospicine | An alpha-amino acid that is 2,7-diaminoheptanoic acid substituted by a imino group at position 7 (the 2S stereoisomer). | L-indospicine |
| inuviscolide | A sesquiterpene lactone that is decahydroazuleno[6,5-b]furan-2(3H)-one substituted by a hydroxy group at position 5, a methyl group at position 5 and methylidene groups at positions 3 and 8 (the 3aR,4aR,5R,7aS,9aS stereoisomer). Isolated from the aerial parts of Inula hupehensis, it exhibits anti-inflammatory activity. | inuviscolide |
| iridin | A glycosyloxyisoflavone that is irigenin substituted by a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. | iridin |
| irigenin | A hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5, 7 and 3' and methoxy groups at positions 6, 4' and 5' respectively. | irigenin |
| isatin | An indoledione that is the 2,3-diketo derivative of indole. | isatin |
| isoalantolactone | A sesquiterpene lactone of the eudesmanolide group. It has been isolated from Inula helenium. | isoalantolactone |
| isoamylamine | A primary aliphatic amine that is butan-1-amine carrying a methyl substituent at position 3. | isopentylamine |
| isobutrin | A member of the class of chalcones that is trans-chalcone substituted by beta-D-glucopyranosyloxy groups at positions 3 and 4' and hydroxy groups at positions 4 and 2' respectively. | isobutrin |
| isobutylamine | An alkylamine having isobutyl as the alkyl group. It has been isolated from Sambucus nigra (Elderberry). | 2-methylpropanamine |
| isobutyric acid | A branched fatty acid comprising propanoic acid carrying a methyl branch at C-2. | isobutyric acid |
| isochamaejasmin | A biflavonoid that consists of two units of 5,7,4'-trihydroxyflavanone joined together at position 3 and 3''. | isochamaejasmin |
| isoeugenol | The trans-stereoisomer of isoeugenol. | trans-isoeugenol |
| isogentisin | A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 3 and a methoxy group at position 7. | isogentisin |
| 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). | isoginkgetin |
| isolariciresinol | A lignan that is 5,6,7,8-tetrahydronaphthalen-2-ol substituted by hydroxymethyl groups at positions 6 and 7, a methoxy group at position 3 and a 4-hydroxy-3-methoxyphenyl group at position 8. It has been isolated from the roots of Rubia yunnanensis. | (+)-isolariciresinol |
| isoleucine | The L-enantiomer of isoleucine. | L-isoleucine zwitterion; L-isoleucine |
| isomaltulose | A glycosylfructose that is D-fructofuranose attached to a alpha-D-glucopyranosyl unit at position 6 via a glycosidic linkage. It is found in honey and sugarcane. | 6-O-alpha-D-glucopyranosyl-D-fructofuranose |
| isomangiferin | A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 6 and 7 and a 1,5-anhydro-D-glucitol moiety at position 1. | isomangiferin |
| isopentenyladenosine | A nucleoside analogue in which adenosine has been modified by substitution at the 6-amino nitrogen by a Delta(2)-isopentenyl group. | N(6)-(Delta(2)-isopentenyl)adenosine |
| isophorone | A cyclic ketone, the structure of which is that of cyclohex-2-en-1-one substituted by methyl groups at positions 3, 5 and 5. | isophorone |
| isoprene | A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds. | isoprene |
| isosakuranetin | A dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and a methoxy group at position 4' (the 2S stereoisomer). | 4'-methoxy-5,7-dihydroxyflavanone |
| isosalipurposide | A monosaccharide derivative that is trans-chalcone substituted by hydroxy groups at positions 4, 4' and 6 and a beta-D-glucopyranosyloxy group at position 2' respectively. | phlorizin chalcone |
| isoscopoletin | A hydroxycoumarin that is esculetin in which the hydroxy group at position 7 is replaced by a methoxy group. It is the major primary metabolite of scoparone. | isoscopoletin |
| isovaleric acid | A C5, branched-chain saturated fatty acid. | isovaleric acid |
| isovalerylaldehyde | A methylbutanal that is butanal substituted by a methyl group at position 3. It occurs as a volatile constituent in olives. | 3-methylbutanal |
| isovanillic acid | A methoxybenzoic acid that is 4-methoxybenzoic acid bearing a hydroxy substituent at position 3. | 3-hydroxy-4-methoxybenzoic acid |
| isovanillin | A member of the class of benzaldehydes that is 4-methoxybenzaldehyde substituted by a hydroxy group at position 3. It is an inhibitor of aldehyde oxidase. | isovanillin |
| isowighteone | A member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4' and a prenyl group at position 3'. It has been isolated from Ficus mucuso. | isowighteone |
| jasmonic acid | An oxo monocarboxylic acid that is (3-oxocyclopentyl)acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 of the cyclopentane ring. | jasmonic acid |
| juniperonic acid | An icosatetraenoic acid in which the four double bonds have Z configuration and are located at positions 5, 11, 14 and 17. | (5Z,11Z,14Z,17Z)-icosatetraenoic acid |
| kaempferol | A tetrahydroxyflavone in which the four hydroxy groups are located at positions 3, 5, 7 and 4'. Acting as an antioxidant by reducing oxidative stress, it is currently under consideration as a possible cancer treatment. | kaempferol |
| kaempferol 3-o-rhamnoside | A glycosyloxyflavone that is kaempferol attached to an alpha-L-rhamnosyl residue at position 3 via a glycosidic linkage. | afzelin |
| kaempferol 3-o-sophoroside | A sophoroside that is kaempferol attached to a beta-D-sophorosyl residue at position 3 via a glycosidic linkage. | 2)-beta-D-glucoside.html>kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside |
| kaempferol 7-o-glucoside | A kaempferol O-glucoside that is kaempferol attached to a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. | kaempferol 7-O-beta-D-glucopyranoside |
| kaempferol-3-o-galactoside | A beta-D-galactoside compound with a 4',5,7-trihydroxychromen-3-yl group at the anomeric position. | kaempferol 3-O-beta-D-galactoside |
| kaempferol-3-o-rutinoside | A kaempferol O-glucoside that is kaempferol attached to a rutinosyl [6-deoxy-alpha-L-mannosyl-(1->6)-beta-D-glucosyl] residue at position 3 via a glycosidic linkage. It has been isolated from the leaves of Solanum campaniforme. | kaempferol-3-rutinoside |
| kaempferol-7-methyl ether | A monomethoxyflavone that is the 7-methyl ether derivative of kaempferol. | rhamnocitrin |
| kahweol | A diterpenoid with formula C20H26O3, isolated from the beans of Coffea arabica. It exhibits antioxidant, anti-inflammatory, anti-angiogenesis and anti-proliferative properties. | kahweol |
| kalopanax saponin b | A triterpenoid saponin with hederagenin as the aglycone part. It has been isolated from the stem bark of Kalopanax pictus. | kalopanaxsaponin B |
| kaurenoic acid | An ent-kaurane diterpenoid that is ent-kauran-19-oic acid in which a double bond is present at position 16(17); exhibits anticancer and anti-HIV 1 activity. | ent-kaur-16-en-19-oic acid |
| kobusin | A member of the class of furofurans that is tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole carrying an additional 3,4-dimethoxyphenyl substituent at position 4. | demethoxyaschantin |
| kolaviron | A biflavonoid isolated from the seeds of Garcinia kola that has been shown to exhibit hepatoprotective activity. | kolaflavanone |
| kurarinol | A trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 7, 2' and 4' , a methoxy group at position 5 and a (2S)-5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl group at position 8 respectively. | kurarinol |
| kuwanon g | A tetrahydroxyflavone isolated from the root barks of Morus alba and has been shown to exhibit anti-inflammatory activity. | kuwanone G |
| kuwanon h | A tetrahydroxyflavone isolated from the plant species of the genus Morus. | kuwanone H |
| lactucin | An azulenofuran that is 3-methylidene-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione carrying additional hydroxy, methyl and hydroxymethyl substituents at positions 4, 6 and 9 respectively (the 3aR,4S,9aS,9bR-diastereomer). Found in chicory. | lactucin |
| ladanein | A dimethoxyflavone that is scutellarein in which the hydroxy groups at positions 4' and 7 are replaced by methoxy groups. It is an effective anti-HCV agent. | ladanein |
| lanosterol | A tetracyclic triterpenoid that is lanosta-8,24-diene substituted by a beta-hydroxy group at the 3beta position. It is the compound from which all steroids are derived. | lanosterol |
| lariciresinol | A lignan that is tetrahydrofuran substituted at positions 2, 3 and 4 by 4-hydroxy-3-methoxyphenyl, hydroxymethyl and 4-hydroxy-3-methoxybenzyl groups respectively (the 2S,3R,4R-diastereomer). | (+)-lariciresinol |
| lauric acid | A straight-chain, twelve-carbon medium-chain saturated fatty acid with strong bactericidal properties; the main fatty acid in coconut oil and palm kernel oil. | dodecanoic acid |
| lenticin | An amino acid betaine obtaine by exhaustive methylation of the alpha-amino group of L-tryptophan with concomitant deprotonation of the carboxy group. | hypaphorine |
| lespenefril | A glycosyloxyflavone that is kaempferol attached to alpha-L-rhamnopyranosyl residues at positions 3 and 7 respectively via glycosidic linkages. It has been isolated from the aerial parts of Vicia faba and Lotus edulis. | kaempferol 3,7-di-O-alpha-L-rhamnoside |
| leucine | The L-enantiomer of leucine. | L-leucine zwitterion; L-leucine |
| leukotriene a4 | A leukotriene that is the (5S,6S)-epoxy derivative of (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid. | leukotriene A4 |
| leukotriene b4 | A leukotriene composed of (6Z,8E,10E,14Z)-icosatetraenoic acid having (5S)- and (12R)-hydroxy substituents. It is a lipid mediator of inflammation that is generated from arachidonic acid via the 5-lipoxygenase pathway. | leukotriene B4 |
| levodopa | An optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease | L-dopa zwitterion; L-dopa |
| levulinic acid | An oxopentanoic acid with the oxo group in the 4-position. | 4-oxopentanoic acid |
| lichexanthone | A member of the class of xanthones that is 9H-xanthen-9-one substituted by a hydroxy group at position 1, a methyl group at position 8 and methoxy groups at positions 3 and 6. It has been isolated from the bark of Cupania cinerea. | lichexanthone |
| licocoumarone | A member of the class of 1-benzofurans which consists of 1-benzofuran substituted by a hydroxy group at position 6, a methoxy group at position 4, a prenyl group at position 5 and a 2,4-dihydroxyphenyl group at position 2. It has been isolated from Glycyrrhiza uralensis. | licocoumarone |
| licoricidin | A member of the class of hydroxyisoflavans that is R-isoflavan with hydroxy groups at positions 7, 2' and 4', a methoxy group at position 5 and prenyl groups at positions 6 and 3'. Isolated from Glycyrrhiza uralensis, it exhibits antibacterial activity. | licoricidin |
| lignoceric acid | A C24 straight-chain saturated fatty acid. | tetracosanoic acid |
| ligstroside | A secoiridoid glycoside that is the methyl ester of 3,4-dihydro-2H-pyran-5-carboxylic acid which is substituted at positions 2, 3, and 4 by hydroxy, ethylidene, and carboxymethyl groups, respectively and in which the anomeric hydroxy group at position 2 has been converted into its beta-D-glucoside and the carboxylic acid moiety of the carboxymethyl substituent has been converted to the corresponding 4-hydroxyphenethyl ester (the 2S,3E,4S stereoisomer). An important phenolic compound present in olive cultivars. | ligstroside |
| likviriton | A flavanone glycoside that is liquiritigenin attached to a beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage. | liquiritin |
| linalool | A monoterpenoid that is octa-1,6-diene substituted by methyl groups at positions 3 and 7 and a hydroxy group at position 3. It has been isolated from plants like Ocimum canum. | linalool |
| linoleic acid | An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry. | linoleic acid |
| liquiritigenin | A dihydroxyflavanone compound having the two hydroxy substituents at the 4'- and 7-positions. Isolated from the root of Glycyrrhizae uralensis, it is a selective agonist for oestrogen receptor beta. | liquiritigenin |
| loganic acid | A cyclopentapyran that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid substituted at positions 1, 6 and 7 by beta-D-glucosyloxy, hydroxy and methyl groups respectively | loganic acid |
| loganin | An iridoid monoterpenoid with formula C17H26O10 that is isolated from several plant species and exhibits neuroprotective and anti-inflammatory properties. | loganin |
| lupeol | A pentacyclic triterpenoid that is lupane in which the hydrogen at the 3beta position is substituted by a hydroxy group. It occurs in the skin of lupin seeds, as well as in the latex of fig trees and of rubber plants. It is also found in many edible fruits and vegetables. | lupeol |
| lutein | | lutein |
| luteolin | A tetrahydroxyflavone in which the four hydroxy groups are located at positions 3', 4', 5 and 7. It is thought to play an important role in the human body as an antioxidant, a free radical scavenger, an anti-inflammatory agent and an immune system modulator as well as being active against several cancers. | luteolin |
| luteolin 4'-o-glucoside | A glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage. It has been isolated from Olea europaea. | luteolin-4'-O-beta-D-glucopyranoside |
| luteolin-7-glucoside | A glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. | luteolin 7-O-beta-D-glucoside |
| lycopene | An acyclic carotene commonly obtained from tomatoes and other red fruits. | lycopene |
| lycorine | An indolizidine alkaloid that is 3,12-didehydrogalanthan substituted by hydroxy groups at positions and 2 and a methylenedioxy group across positions 9 and 10. Isolated from Crinum asiaticum, it has been shown to exhibit antimalarial activity. | lycorine |
| lyoniside | A steroid saponin that is sitosterol attached to a beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has bee isolated from Panax japonicus var. major and Breynia fruticosa. | daucosterol |
| lysine | An L-alpha-amino acid; the L-isomer of lysine. | L-Lysine zwitterion; L-lysine |
| lyxonic acid | A lyxonic acid that has D-configuration. | D-lyxonic acid |
| madecassic acid | A pentacyclic triterpenoid that is ursane substituted by a carboxy group at position 28 and hydroxy groups at positions 2, 3, 6 and 23 (the 2alpha,3beta,6beta stereoisomer). | madecassic acid |
| madecassoside | A triterpenoid saponin that is a trisaccharide derivative of madecassic acid. Isolated from Centella asiatica, it exhibits anti-inflammatory, antioxidant and antirheumatic activities. | madecassoside |
| magnoflorine | An aporphine alkaloid that is (S)-corytuberine in which the nitrogen has been quaternised by an additional methyl group. | (S)-magnoflorine |
| maleic acid | A butenedioic acid in which the double bond has cis- (Z)-configuration. | maleic acid |
| malonylgenistin | A glycosyloxyisoflavone that is genistin in which the hydroxy hydrogen at position 6'' has been replaced by a malonyl group. | malonylgenistin |
| mangiferin | A C-glycosyl compound consisting of 1,3,6,7-tetrahydroxyxanthen-9-one having a beta-D-glucosyl residue at the 6-position. | mangiferin |
| mangostin | A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1, 3 and 6, a methoxy group at position 7, an oxo group at position 9 and prenyl groups at positions 2 and 8. Isolated from the stems of Cratoxylum cochinchinense, it exhibits antioxidant, antimicrobial and antitumour activities. | alpha-mangostin |
| mannopine | A hexitol derivative that is D-mannitol in which the hydroxy group at position 1 is replaced by the alpha-amino group of L-glutamine. It is produced in crown gall tumours induced in a wide range of dicotyledenous plants by Agrobacterium tumefaciens. | mannopine |
| manool | A labdane diterpenoid in which the labdane skeleton has double bonds at positions 8(17) and 14 and carries an R-hydroxy group at position 13. | manool |
| maprounic acid | A pentacyclic triterpenoid isolated from Maprounea africana and has been shown to exhibit inhibitory activity against HIV-1 reverse transcriptase. | maprounic acid |
| marmesin, (r)-isomer | A marmesin with R-configuration. | nodakenetin |
| maslinic acid | A pentacyclic triterpenoid that is olean-12-ene substituted by hydroxy groups at positions 2 and 3 and a carboxy group at position 28 (the 2alpha,3beta stereoisomer). It is isolated from Olea europaea and Salvia canariensis and exhibits anti-inflammatory, antioxidant and antineoplastic activity. | maslinic acid |
| masoprocol | A tetrol that is butane which is substituted at positions 2 and 3 by 3,4-dihydroxybenzyl groups. Masoprocol, the meso-form found in the leaves of the creosote bush (Larrea divaricata), is a potent lipoxygenase inhibitor. | nordihydroguaiaretic acid |
| matairesinol | A lignan that is gamma-butyrolactone in which the 3 and 4 positions are substituted by 4-hydroxy-3-methoxybenzyl groups (the 3R,4R-diastereomer). | (-)-matairesinol |
| matteucinol | A dihydroxyflavanone that is (2S)-flavanone with hydroxy groups at positions 5 and 7, methyl groups at positions 6 and 8 and a methoxy group at position 4'. | matteucinol |
| maysin | A flavone C-glycoside that is luteolin attached to a disaccharide residue at position 6. It has been isolated from natural product Petrorhagia velutina and Zea mays and exhibits insecticidal and neuroprotective activities. | maysin |
| maytansine | An organic heterotetracyclic compound and 19-membered macrocyclic lactam antibiotic originally isolated from the Ethiopian shrub Maytenus serrata but also found in other Maytenus species. It exhibits cytotoxicity against many tumour cell lines. | maytansine |
| medicarpin | The (-)-enantiomer of medicarpin. | (-)-medicarpin |
| medioresinol | A lignan that is tetrahydro-1H,3H-furo[3,4-c]furan substituted by a 4-hydroxy-3,5-dimethoxyphenyl group at position 1 and a 4-hydroxy-3-methoxyphenyl group at position 4. It has been isolated from the stems of Sinocalamus affinis. | (-)-medioresinol |
| megestrol acetate | A sesquiterpene lactone with formula C15H20O8. It is a neurotoxic natural product found in plants of the family Illiciaceae. | anisatin |
| meglutol | A dicarboxylic acid that is glutaric acid in which one of the two hydrogens at position 3 is substituted by a hydroxy group, while the other is substituted by a methyl group. It has been found to accumulate in urine of patients suffering from HMG-CoA lyase (3-hydroxy-3-methylglutaryl-CoA lyase, EC 4.1.3.4) deficiency. It occurs as a plant metabolite in Crotalaria dura. | 3-hydroxy-3-methylglutaric acid |
| melilotic acid | A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 3 is substituted by a 2-hydroxyphenyl group. | 3-(2-hydroxyphenyl)propanoic acid |
| menthofuran | A monoterpenoid that is 4,5,6,7-tetrahydro-1-benzofuran substituted by methyl groups at positions 3 and 6. | menthofuran |
| meso-dihydroguaiaretic acid | A lignan that is 2,3-dimethylbutane substituted by 2-methoxyphenol groups at positions 1 and 4 respectively. It has been isolated from the bark of Machilus robusta. | meso-dihydroguaiaretic acid |
| methoxsalen | A member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis. | methoxsalen |
| methyl 2,5-dihydroxycinnamate | A cinnamate ester that is the methyl ester of 2,5-dihydroxycinnamic acid. | 2,5-dihydroxycinnamic acid methyl ester |
| methyl 3,4-dihydroxybenzoate | A methyl ester resulting from the formal condensation of the carboxy group of 3,4-dihydroxybenzoic acid with methanol. | methyl 3,4-dihydroxybenzoate |
| methyl caproate | A fatty acid methyl ester derived from hexanoic (caproic acid). | methyl hexanoate |
| methyl cinnamate | The E (trans) isomer of methyl cinnamate. | methyl trans-cinnamate |
| methyl ferulate | A cinnamate ester that is the methyl ester of ferulic acid. It has been isolated from Pisonia aculeata. | trans-methylferulate |
| methyl gallate | A gallate ester obtained by the formal condensation of gallic acid with methanol. It exhibits anti-oxidant, anti-tumor, anti-microbial and anti-inflammatory properties. | methyl 3,4,5-trihydroxybenzoate |
| methyl linoleate | A fatty acid methyl ester of linoleic acid. It has been isolated from Neolitsea daibuensis. | methyl linoleate |
| methyl linolenate | A fatty acid methyl ester derived from alpha-linolenic acid. | methyl linolenate |
| methyl n-methylanthranilate | A methyl ester resulting from the formal condensation of the carboxy group of N-methylanthranilic acid with methanol. | methyl N-methylanthranilate |
| methyl syringate | A benzoate ester obtained by the formal condensation of carboxy group of syringic acid with methanol. | methyl syringate |
| methyl tetradecanoate | A fatty acid methyl ester resulting from the formal condensation of the carboxy group of tetradecanoic acid (myristic acid) with methanol. | methyl tetradecanoate |
| methyl vanillate | A benzoate ester that is the methyl ester of vanillic acid. | methyl vanillate |
| methylbufotenin | A tryptamine alkaloid that is N,N-dimethyltryptamine substituted by a methoxy group at position 5. | 5-methoxy-N,N-dimethyltryptamine |
| methylcyclohexane | A cycloalkane that is cyclohexane substituted by a single methyl group. | methylcyclohexane |
| methylcyclopentane | A cycloalkane that is cyclopentane substituted by a single methyl group. | methylcyclopentane |
| methylparaben | A 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blueberries. | methylparaben |
| methylthioethanol | A primary alcohol that is the S-methyl derivative of mercaptoethanol. It is found as a volatile component in Cucumis melo Var. cantalupensis. | 2-methylthioethanol |
| mevalonolactone | A 4-hydroxy-4-methyloxan-2-one that has (R)-configuration. It is a natural product found in Phomopsis archeri. | (R)-mevalonolactone |
| miltiradiene | An abietadiene in which the two doule bonds are located at positions 8 and 12. It is a key intermediate in the biosynthesis of many important natural diterpene compounds such as triptolide, tanshinones, carnosic acid and carnosol. | miltiradiene |
| mimosine | An L-alpha-amino acid that is propionic acid substituted by an amino group at position 2 and a 3-hydroxy-4-oxopyridin-1(4H)-yl group at position 3 (the 2S-stereoisomer). It a non-protein plant amino acid isolated from Mimosa pudica. | L-mimosine zwitterion; L-mimosine |
| monolinolein | A 1-monoglyceride that has octadecadienoyl (linoleoyl) as the acyl group. | 1-monolinolein; rac-1-monolinoleoylglycerol |
| mor-14 | A hydroxypiperidine that is duvoglustat in which the amino hydrogen is replaced by a methyl group. It is an inhibitor of alpha-glucosidase, an agonist of the glucose sensor SGLT3 and exhibits anti-HIV activity. | N-methyl-1-deoxynojirimycin |
| morelloflavone | A biflavonoid found in Rheedia edulis and Garcinia livingstonei. | (+)-morelloflavone |
| morphine | A morphinane alkaloid that is a highly potent opiate analgesic psychoactive drug. Morphine acts directly on the central nervous system (CNS) to relieve pain but has a high potential for addiction, with tolerance and both physical and psychological dependence developing rapidly. Morphine is the most abundant opiate found in Papaver somniferum (the opium poppy). | morphine |
| morusin | An extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2' and 4', a prenyl group at position 3 and a 2,2-dimethyl pyran group across positions 7 and 8. | morusin |
| mucronulatol | A methoxyisoflavan that is (S)-isoflavan substituted by methoxy groups at positions 2' and 4' and hydroxy groups at positions 7 and 3' respectively. | mucronulatol |
| muromonab-cd3 | An extended flavonoid that consists of a pyranochromane skeleton that is 2H,6H-pyrano[3,2-g]chromen-6-one substituted by geminal methyl groups at position 2, a 2,4-dihydroxyphenyl group at position 8, a hydroxy group at position 5 and a prenyl group at position 7. Isolated from Morus alba and Morus species it exhibits anti-inflammatory activity. | cudraflavone B |
| myosmine | A member of the class of pyridines that is pyridine substituted by a 3,4-dihydro-2H-pyrrol-5-yl group at position 3. It is an alkaloid found in tobacco plants and exhibits genotoxic effects. | myosmine |
| myrcene | A monoterpene that is octa-1,6-diene bearing methylene and methyl substituents at positions 3 and 7 respectively. | beta-myrcene |
| myricanone | A cyclic ketone isolated from the bark of Morella species and has been shown to exhibit cytotoxic activity against cancer cells. | Myricanone |
| myricetin | A hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7. It has been isolated from the leaves of Myrica rubra and other plants. | myricetin |
| myricitrin | A glycosyloxyflavone that consists of myricetin attached to a alpha-L-rhamnopyranosyl residue at position 3 via a glycosidic linkage. Isolated from Myrica cerifera, it exhibits anti-allergic activity. | myricitrin |
| myristyl alcohol | A long-chain fatty alcohol that is tetradecane substituted by a hydroxy group at position 1. | tetradecan-1-ol |
| n-(2-(5-methoxy-2-oxo-2,3-dihydro-1h-indol-3-yl)ethyl)acetamide | A member of the class of hydroxyindoles that is melatonin in which the hydrogen at position 2 of the indole ring has been replaced by a hydroxy group. A predominant hydroxylated melatonin metabolite in plants. | 2-hydroxymelatonin |
| n-benzylhexadecanamide | A macamide resulting from the formal condensation of the carboxy group of hexadecanoic acid with benzylamine. A moderate inhibitor of fatty acid amide hydrolase. | N-benzylhexadecanamide |
| n-butylbenzenesulfonamide | A sulfonamide that is benzenesulfonamide substituted by a butyl group at the nitrogen atom. It has been isolated from the plant Prunus africana and has been shown to exhibit antiandrogenic activity. | N-butylbenzenesulfonamide |
| n-dodecane | A straight-chain alkane with 12 carbon atoms. It has been isolated from the essential oils of various plants including Zingiber officinale (ginger). | dodecane |
| n-feruloylserotonin | A member of the class of hydroxyindoles that is the N-feruloyl derivative of serotonin. | N-feruloylserotonin |
| n-heneicosane | An alkane that has 21 carbons and a straight-chain structure. It has been isolated from plants like Periploca laevigata and Carthamus tinctorius. | henicosane |
| n-heptane | A straight-chain alkane with seven carbon atoms. It has been found in Jeffrey pine (Pinus jeffreyi). | heptane |
| n-hexadecane | A straight-chain alkane with 16 carbon atoms. It is a component of essential oil isolated from long pepper. | hexadecane |
| n-methylphenylethanolamine | An alkaloid that is ethanolamine having the phenyl group at the 1-position and a methyl group attached to the nitrogen. It has been isolated from Halostachys caspica. | N-methylphenylethanolamine |
| n-methylproline | An L-proline derivative obtained by replacement of the amino hydrogen by a methyl group. | N-methylproline zwitterion; N-methylproline |
| n-methylproline | An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of N-methylproline; major species at pH 7.3. | N-methylproline zwitterion; N-methylproline |
| n-methylserotonin | A member of the class of tryptamines that is serotonin in which one of the hydrogens attached to the primary amino group is replaced by a methyl group. | N-methylserotonin |
| n-pentanoic acid | A straight-chain saturated fatty acid containing five carbon atoms. | valeric acid |
| n-pentanol | A short-chain primary fatty alcohol that is pentane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Melicope ptelefolia. | pentan-1-ol |
| n-propyl disulfide | An organic disulfide where the alkyl groups specified are propyl. It is a component of the essential oils obtained from Allium. | dipropyl disulfide |
| n-tetradecane | A straight chain alkane consisting of 14 carbon atoms. | tetradecane |
| n-tricosane | A straight chain alkane containing 23 carbon atoms. | tricosane |
| n(1)-methylnicotinamide | A pyridinium ion comprising nicotinamide having a methyl group at the 1-position. It is a metabolite of nicotinamide which was initially considered to be biologically inactive but has emerged as an anti-thrombotic and anti-inflammatory agent. | 1-methylnicotinamide |
| naphthalene | An aromatic hydrocarbon comprising two fused benzene rings. It occurs in the essential oils of numerous plant species e.g. magnolia. | naphthalene |
| naphthazarin | A naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 5 and 8 are replaced by hydroxy groups. | naphthazarin |
| naringenin | The (S)-enantiomer of naringenin. | (S)-naringenin |
| neobavaisoflavone | A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone with an additonal hydroxy group at position 4' and a prenyl group at position 3'. Isolated from seeds of Psoralea corylifolia, it exhibits inhibitory activity against DNA polymerase and platelet aggregation. | neobavaisoflavone |
| neoeriocitrin | A flavanone glycoside that is eriodictyol substituted by a 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. | neoeriocitrin |
| neoglycyrol | A member of the class of coumestans that is coumestan substituted by hydroxy groups at positions 1 and 9, a methoxy group at position 3 and a prenyl group at position 2 respectively. | glycyrol |
| neohesperidin dihydrochalcone | A member of the dihydrochalcones that is 3,2',4',6'-tetrahydroxy-4-methoxydihydrochalcone attached to a neohesperidosyl residue at position 4' via glycosidic linkage. It is found in sweet orange. | neohesperidin dihydrochalcone |
| nerol | The (2Z)-stereoisomer of 3,7-dimethylocta-2,6-dien-1-ol. It has been isolated from the essential oils from plants like lemon grass. | nerol |
| nevadensin | A trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 8 and 4' and hydroxy groups at positions 5 and 7 respectively. | nevadensin |
| niacin | A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group. | nicotinic acid |
| nicotianamine | The (S,S,S)-stereoisomer of nicotianamine. | (S,S,S)-nicotianamine trizwitterion; (S,S,S)-nicotianamine |
| nicotianamine | An amino acid zwitterion resulting from transfer of three protons from the carboxy to the amino groups of (S,S,S)-nicotianamine. One of two major microspecies at physiological pH. | (S,S,S)-nicotianamine trizwitterion; (S,S,S)-nicotianamine |
| nicotine | A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum. | (S)-nicotine |
| niga-ichigoside f1 | A triterpenoid saponin that is 19alpha-hydroxyasiatic acid attached to a beta-D-glucopyranosyl residue at position 28 via a glycosidic linkage. It has been isolated from the leaves of Rosa laevigata. | 19alpha-hydroxyasiatic acid-28-O-beta-D-glucopyrannoside |
| nimbin | A limonoid found in Azadirachta indica. | nimbin |
| nobiletin | A methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 3' and 4' respectively. | nobiletin |
| nonacosane | A straight-chain alkane comprising of 29 carbon atoms. | nonacosane |
| nonadecane | A straight-chain alkane with 19 carbon atoms. It has been found as a component of essential oils isolated from Artemisia armeniaca. | nonadecane |
| nonanal | A saturated fatty aldehyde formally arising from reduction of the carboxy group of nonanoic acid. Metabolite observed in cancer metabolism. | nonanal |
| nonane | A straight chain alkane composed of 9 carbon atoms. | nonane |
| nootkatol | A 4,4a-dimethyl-6-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol with (2S,4R,4aS,6R) stereochemistry. | beta-nootkatol |
| nootkatone | A sesquiterpenoid that is 4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one which is substituted by methyl groups at positions 4 and 4a, and by an isopropenyl group at position 6 (the 4R,4aS,6R stereoisomer). | (+)-nootkatone |
| norathyriol | A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 6 and 7. Isolated from Garcinia mangostana and Maclura pomifera, it exhibits inhibitory activity against protein kinase C. | norathyriol |
| norbelladine | A phenethylamine alkaloid that is tyramine in which one of the amino hydrogens has been replaced by a 3,4-dihydroxybenzyl group. | norbelladine |
| noreugenin | A member of the class of chromones in which the 1,4-benzopyrone skeleton is substituted with a methyl group at position 2 and with hydroxy groups at positions 5 and 7. A natural product, it is found in Pisonia aculeata. | noreugenin |
| norpseudoephedrine | An amphetamine that is propylbenzene substituted by a hydroxy group at position 1 and by an amino group at position 2 (the 1S,2S-stereoisomer). | cathine |
| noscapine | A benzylisoquinoline alkaloid that is 1,2,3,4-tetrahydroisoquinoline which is substituted by a 4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl group at position 1, a methylenedioxy group at positions 6-7 and a methoxy group at position 8. Obtained from plants of the Papaveraceae family, it lacks significant painkilling properties and is primarily used for its antitussive (cough-suppressing) effects. | (-)-noscapine |
| notoginsenoside r1 | A ginsenoside found in Panax notoginseng that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 pro-S positions, in which the hydroxy groups at positions 6 and 20 have been converted to the corresponding beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside and beta-D-glucopyranoside respectively, and in which a double bond has been introduced at the 24-25 position. | notoginsenoside R1 |
| nyasol | | (-)-nyasol |
| obolactone | A pyranone isolated from the trunk barks of Cryptocarya obovata and has been shown to exhibit cytotoxicity against the KB cell line. | obolactone |
| obtusifoliol | | obtusifoliol |
| ochnaflavone | A biflavonoid with an ether linkage between the B-rings of the apigenin and luteolin subunits. It has been isolated from several members of the Ochnaceae plant family. | ochnaflavone |
| octacosane | A straight-chain alkane containing 28 carbon atoms. | octacosane |
| octacosanoic acid | A straight-chain saturated fatty acid that is octacosane in which one of the terminal methyl groups has been oxidised to the corresponding carboxy group. | octacosanoic acid |
| octadecane | A straight-chain alkane carrying 18 carbon atoms. | octadecane |
| octyl acetate | The acetate ester of octan-1-ol. | octyl acetate |
| octyl gallate | A gallate ester obtained by condensation of the carboxy group of gallic acid with the hydroxy group of octanol. | octyl gallate |
| octyl glucoside | An beta-D-glucoside in which the anomeric hydrogen of beta-D-glucopyranose is substituted by an octyl group. | octyl beta-D-glucopyranoside |
| okanin | A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 3, 4, 2', 3', and 4' respectively. | okanin |
| oleanolic acid | A pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by a beta-hydroxy group at position 3. | oleanolic acid |
| oleic acid | An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry. | oleic acid |
| oleuropein | A secoiridoid glycoside that is the methyl ester of 3,4-dihydro-2H-pyran-5-carboxylic acid which is substituted at positions 2, 3, and 4 by hydroxy, ethylidene, and carboxymethyl groups, respectively and in which the anomeric hydroxy group at position 2 has been converted into its beta-D-glucoside and the carboxylic acid moiety of the carboxymethyl substituent has been converted to the corresponding 3,4-dihydroxyphenethyl ester (the 2S,3E,4S stereoisomer). The most important phenolic compound present in olive cultivars. | oleuropein |
| oleuropein aglycone | A secoiridoid that is the methyl ester of 3,4-dihydro-2H-pyran-5-carboxylic acid which is substituted at positions 2, 3, and 4 by hydroxy, ethylidene, and carboxymethyl groups, respectively and in which the carboxylic acid moiety of the carboxymethyl substituent has been converted to the corresponding 3,4-dihydroxyphenethyl ester (the 2R,3E,4S stereoisomer). The most important phenolic compound present in olive cultivars. | oleuropein aglycone |
| oleylamide | A fatty amide derived from oleic acid. | oleamide |
| ombuine | A dimethoxyflavone that is quercetin in which the hydroxy groups at positions 7 and 4' are replaced by methoxy groups. Isolated from Cyperus teneriffae, it exhibits anti-inflammatory activity. | ombuin |
| ononin | A 4'-methoxyisoflavone that is formononetin attached to a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. | ononin |
| oplodiol | A carbobicyclic compound that is 1,2,3,4,4a,5,8,8a-octahydronaphthalene which is substituted by hydroxy groups at positions 1 and 4, an isoopropyl group at position 7, and by methyl groups at positions 1 and 4a (the 1S,4R,4aR,8aR isomer). A sesquiterpenoid plant metabolite. | oplodiol |
| oridonin | An organic heteropentacyclic compound and ent-kaurane diterpenoid with formula C20H28O6 isolated from the leaves of the medicinal herb Rabdosia rubescens. | oridonin |
| orobanchol | | orobanchol |
| orobol | A member of the class of 7-hydroxyisoflavones which consists of isoflavone substituted by hydroxy groups at positions 5, 7, 3' and 4'. It has been isolated from the mycelia of Cordyceps sinensis. | orobol |
| orotidine | A nucleoside formed by attaching orotic acid to a ribose ring via a beta-N(1)-glycosidic bond. | orotidine |
| oroxylin a-7-o-glucuronide | The glycosyloxyflavone which is the 7-O-glucuronide of oroxylin A. | oroxylin A 7-O-beta-D-glucuronide |
| osthenol | A hydroxycoumarin that is umbelliferone in which the hydrogen at position 8 has been replaced by a prenyl group. | osthenol |
| ouabain | A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus. | ouabain |
| oxalic acid | An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2. | oxalic acid |
| oxypaeoniflora | A monoterpene glycoside with formula C23H28O12, isolated from several species of Paeoniae. | oxypaeoniflorin |
| oxypeucadanin, (s)-(-)-isomer | A furanocoumarin that is 7H-furo[3,2-g][1]benzopyran-7-one substituted by a [(2S)-3,3-dimethyloxiran-2-yl]methoxy group at position 4. | oxypeucedanin |
| p-coumaric acid glucoside | A 4-O-beta-D-glucosyl-4-coumaric acid in which the double bond has trans-configuration. | 4-O-beta-D-glucosyl-trans-4-coumaric acid |
| p-hydroxycinnamaldehyde | A cinnamaldehyde that is (E)-cinnamaldehyde substituted at position 4 on the phenyl ring by a hydroxy group. | 4-hydroxycinnamaldehyde |
| pachypodol | A trimethoxyflavone that is quercetin in which the hydroxy groups at position 3, 7 and 3' are replaced by methoxy groups. It has been isolated from Combretum quadrangulare and Euodia elleryana. | pachypodol |
| paeoniflorigenone | A terpenoid with formula C17H18O6, isolated from several species of Paeoniae. | paeoniflorigenone |
| pallidol | A tetracyclic stilbenoid that is a homodimer obtained by cyclodimerisation of resveratrol. | pallidol |
| palmatine | | palmatine |
| palmitic acid | A straight-chain, sixteen-carbon, saturated long-chain fatty acid. | hexadecanoic acid |
| panose | A trisaccharide composed of D-glucopyranose units. | panose |
| pectolinarin | A disaccharide derivative that consists of pectolinarigenin substituted by a 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. | pectolinarin |
| pedilstatin | A phorbol ester that is 4-deoxyphorbol in which the hydroxy groups at positions 12 and 13 have been replaced by octa-2,4-dienoyloxy and acetyloxy groups respectively. | pedilstatin |
| pelargonic acid | A C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers. | nonanoic acid |
| pelargonidin | An anthocyanidin cation that is flavylium substituted by a hydroxy groups at positions 3, 5, 7 and 4'. | pelargonidin |
| pentadecanal | A long-chain fatty aldehyde that is pentadecane carrying an oxo substituent at position 1. It is a component of essential oils from plants like Solanum erianthum and Cassia siamea. | pentadecanal |
| pentadecane | A straight-chain alkane with 15 carbon atoms. It is a component of volatile oils isolated from plants species like Scandix balansae. | pentadecane |
| pentadecanoic acid | A straight-chain saturated fatty acid containing fifteen-carbon atoms. | pentadecanoic acid |
| pentanal | A saturated fatty aldehyde composed from five carbons in a straight chain. | pentanal |
| perflubron | A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2', 4', and 6' and a 3-methylbut-2-en-1-yl group at position 3'. | desmethylxanthohumol |
| perillyl alcohol | A limonene monoterpenoid consists of a cyclohexene ring substituted by a hydroxymethyl and a prop-1-en-2-yl group at positions 1 and 4 respectively. It is a constituent of a variety of essential oils including lavender. | perillyl alcohol |
| petasin | An enoate ester obtained by formal condensation of the carboxy group of angelic acid with the hydroxy group of (1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-(prop-1-en-2-yl)-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-ol. | petasin |
| petroselinic acid | The cis-isomer of octadec-6-enoic acid, a long-chain fatty acid. | petroselinic acid |
| petunidin | An anthocyanidin cation that is flavylium bearing five hydroxy substituents at positions 3, 3', 4', 5 and 7 as well as a methoxy substituent at position 5'. | petunidin |
| peucedanin | A member of the class of furanocoumarins that is furo[3,2-g]chromen-7-one, bearing additional isopropyl and methoxy substituents at positions 2 and 3 respectively. | peucedanin |
| phaseollin (isoflavan) | A member of the class of hydroxyisoflavans that is (3R)-3,4-dihydro-2H,2'H-3,6'-bichromene substituted by two methyl groups at positions 2' and 2' and hydroxy groups at positions 5' and 7 respectively. | (-)-phaseollinisoflavan |
| phenothiazine | The 10H-tautomer of phenothiazine. | 10H-phenothiazine |
| phenyl ether | An aromatic ether in which the oxygen is attached to two phenyl substituents. It has been found in muscat grapes and vanilla. | diphenyl ether |
| phenylacetic acid | A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group. | phenylacetic acid |
| phenylalanine | The L-enantiomer of phenylalanine. | L-phenylalanine zwitterion; L-phenylalanine |
| phenylalanylleucine | A dipeptide obtained by formal condensation of the carboxy group of L-phenylalanine with the amino group of L-leucine. | Phe-Leu zwitterion; Phe-Leu |
| phenylethyl alcohol | A primary alcohol that is ethanol substituted by a phenyl group at position 2. | 2-phenylethanol |
| phenylpropanolamine | An amphetamine that is propylbenzene substituted by a hydroxy group at position 1 and by an amino group at position 2 (the 1R,2S-stereoisomer). It is a plant alkaloid. | (-)-norephedrine |
| phloretic acid | A hydroxy monocarboxylic acid consisting of propionic acid having a 4-hydroxyphenyl group at the 3-position. | phloretic acid |
| phloretin | A member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 4, 2', 4' and 6'. | phloretin |
| phlorhizin | An aryl beta-D-glucoside that is phloretin attached to a beta-D-glucopyranosyl residue at position 2' via a glycosidic linkage. | phlorizin |
| phosphoribosyl pyrophosphate | A derivative of alpha-D-ribose having a phosphate group at the 5-position and a diphosphate at the 1-position. | 5-O-phosphono-alpha-D-ribofuranosyl diphosphate |
| picrinine | A natural product with formula C20H22N2O3 that is the member of the akuammiline family of alkaloids, first isolated in 1965 from the leaves of Alstonia scholaris. | picrinine |
| picropodophyllin | An organic heterotetracyclic compound that has a furonaphthodioxole skeleton bearing 3,4,5-trimethoxyphenyl and hydroxy substituents. | picropodophyllotoxin |
| picrotin | An organic heteropentacyclic compound that is picrotoxinin in which the olefinic double bond has undergone addition of water to give the corresponding tertiary alcohol. It is the less toxic component of picrotoxin, lacking GABA activity. | picrotin |
| picrotoxinin | A picrotoxane sesquiterpenoid that is 3a,4,5,6,7,7a-hexahydro-1H-indene-3,7-dicarboxylic acid which is substituted at positions 3a, 6, and 7a by methyl, isopropenyl, and hydroxy groups, respectively; in which the double bond at position 2-3 has been epoxidised; and in which the carboxy groups at positions 3 and 7 have undergone gamma-lactone formation by O-alkylation to positions 4 and 5, respectively. A component of picrotoxin. | picrotoxinin |
| pinane | A monoterpene that is bicyclo[3.1.1]heptane substituted by methyl groups at positions 2, 6 and 6. | pinane |
| pinoresinol | An enantiomer of pinoresinol having (+)-1S,3aR,4S,6aR-configuration. | (+)-pinoresinol |
| pinostrobin | A monohydroxyflavanone that is (2S)-flavanone substituted by a hydroxy group at position 5 and a methoxy group at position 7 respectively. | pinostrobin |
| pipercallosidine | An enamide that is (2E)-N-isobutylhept-2-enamide which is substituted at position 7 by a 3,4-methylenedioxyphenyl group. A natural product found in Piper sarmentosum. | pipercallosidine |
| piperic acid | A monocarboxylic acid that is (E)-penta-2,4-dienoic acid substituted by a 1,3-benzodioxol-5-yl group at position 5. It has been isolated from black pepper (Piper nigrum). | (E,E)-piperic acid |
| piperidine | An azacycloalkane that is cyclohexane in which one of the carbons is replaced by a nitrogen. It is a metabolite of cadaverine, a polyamine found in the human intestine. | piperidine |
| piperine | A N-acylpiperidine that is piperidine substituted by a (1E,3E)-1-(1,3-benzodioxol-5-yl)-5-oxopenta-1,3-dien-5-yl group at the nitrogen atom. It is an alkaloid isolated from the plant Piper nigrum. | piperine |
| piperitone | A p-menthane monoterpenoid that is cyclohex-2-en-1-one substituted by a methyl group at position 3 and an isopropyl group at position 6. | piperitone |
| 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. | piperlactam S |
| piperonal | An arenecarbaldehyde that is 1,3-benzodioxole substituted by a formyl substituent at position 5. It has been isolated from Piper nigrum. | piperonal |
| piperonylic acid | A member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a carboxy group at position 5. It is a natural product isolated from several plant species. It is a selective mechanism-based inactivator of the trans-cinnamate 4-hydroxylase enzyme and exhibits antifungal and skin wound healing properties. | piperonylic acid |
| piperyline | A N-acylpyrrolidine that is pyrollidine substituted by a (1E,3E)-1-(1,3-benzodioxol-5-yl)-5-oxopenta-1,3-dien-5-yl group at the nitrogen atom. It is an alkaloid isolated from the plant Piper nigrum. | piperyline |
| plaunotol | A diterpenoid that is geranylgeraniol carrying an additional hydroxy substituent at position 18. | plaunotol |
| pluviatolide | A butan-4-olide that is dihydrofuran-2(3H)-one which is substituted by a vanillyl group at position 3 and by a 3,4-methylenedioxybenzyl group at position 4 (the R,R stereoisomer). | (-)-pluviatolide |
| podophyllotoxin | An organic heterotetracyclic compound that has a furonaphthodioxole skeleton bearing a 3,4,5-trimethoxyphenyl substituent. It is found in the roots and rhizomes of Podophyllum species and is used for the topical treatment of genital warts. | podophyllotoxin |
| precocene i | A member of the class of chromenes that is 2H-chromene substituted by a methoxy group at position 7 and two methyl groups at position 2. | precocene I |
| prephenic acid | An oxo dicarboxylic acid that consists of 4-hydroxycyclohexa-2,5-diene-1-carboxylic acid substituted by a 2-carboxy-2-oxoethyl group at position 1. | prephenic acid |
| pronuciferine | An isoquinoline alkaloid isolated from Berberis coletioides. | (+)-pronuciferine |
| propanethiol | An alkanethiol that is propane substituted by a thiol group at position 1. | propane-1-thiol |
| propyl acetate | An acetate ester obtained by the formal condensation of acetic acid with propanol. | propyl acetate |
| propyl benzoate | A benzoate ester obtained by condensation of benzoic acid and propanol. It has a balsamic odor reminescent of nuts with a sweet, fruity, nut-like taste. | propyl benzoate |
| protocatechuic acid | A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4. | 3,4-dihydroxybenzoic acid |
| protopine | A dibenzazecine alkaloid isolated from Fumaria vaillantii. | protopine |
| pseudoephedrine | A member of the class of the class of phenylethanolamines that is (1S)-2-(methylamino)-1-phenylethan-1-ol in which the pro-S hydrogen at position 2 is replaced by a methyl group. | pseudoephedrine |
| pseudoephedrine hydrochloride | A hydrochloride that is the monohydrochloride salt of pseudoephedrine. | pseudoephedrine hydrochloride |
| psi-baptigenin | A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone and in which the phenyl group at position 3 is replaced by a 1,3-benzodioxol-5-yl group. | pseudobaptigenin |
| psoralidin | A member of the class of coumestans that is coumestan substituted by hydroxy groups at positions 3 and 9 and a prenyl group at position 2 respectively. | psoralidin |
| psorospermin | An organic heterotetracyclic compound that is 1,2-dihydro-6H-furo[2,3-c]xanthene substituted by a hydroxy group at position 10, a methoxy group at position 5 nad a 2-methyloxiran-2-yl group at position 2. | psorospermin |
| pterostilbene | A stilbenol that consists of trans-stilbene bearing a hydroxy group at position 4 as well as two methoxy substituents at positions 3' and 5'. | pterostilbene |
| puerarin | A hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 7 and 4' and a beta-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage. | puerarin |
| pulsatilla saponin a | A triterpenoid saponin that is hederagenin attached to a 2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from the stem bark of Kalopanax pictus. | kalopanaxsaponin A |
| purpurin | A trihydroxyanthraquinone derived from anthracene by substitution with oxo groups at C-9 and C-10 and with hydroxy groups at C-1, C-2 and C-4. | purpurin |
| pyridoxamine | A monohydroxypyridine that is pyridine substituted by a hydroxy group at position 3, an aminomethyl group at position 4, a hydroxymethyl group at position 5 and a methyl group at position 2. The 4-aminomethyl form of vitamin B6, it is used (in the form of the hydrochloride salt) for treatment of diabetic nephropathy. | pyridoxamine |
| pyridoxamine dihydrochloride | A hydrochloride obtained by combining pyridoxamine with two molar equivalents of hydrochloric acid. Used for treatment of diabetic nephropathy. | pyridoxamine dihydrochloride |
| pyrogallol | A benzenetriol carrying hydroxy groups at positions 1, 2 and 3. | pyrogallol |
| pyrogallol 1,3-dimethyl ether | A member of the class of phenols that is phenol substituted by methoxy groups at positions 2 and 6. | 2,6-dimethoxyphenol |
| quadrangularin a | An indane-derived stilbenoid that is a homodimer obtained by cyclodimerisation of resveratrol. | quadrangularin A |
| quercetagetin | A hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 5, 6, 7, 3' and 4' respectively. | quercetagetin |
| quercetin | A pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3'-, 4'-, 5- and 7-positions. It is one of the most abundant flavonoids in edible vegetables, fruit and wine. | quercetin |
| quercetin 3-o-glucopyranoside | A quercetin O-glucoside that is quercetin with a beta-D-glucosyl residue attached at position 3. Isolated from Lepisorus contortus, it exhibits antineoplastic activityand has been found to decrease the rate of polymerization and sickling of red blood cells | quercetin 3-O-beta-D-glucopyranoside |
| quercetin 3-o-glucoside-7-o-rhamnoside | A quercetin O-glucoside that is quercetin attached to beta-D-glucopyranosyl residue at position 3 and a alpha-L-rhamnopyranosyl residue at position 7 via glycosidic linkages. Isolated from the aerial parts of Delphinium staphisagria, it exhibits trypanocidal activity. | petiolaroside |
| quercetin 3-sambubioside | A quercetin O-glucoside that is quercetin attached to a beta-D-sambubiosyl residue at position 3 via a glycosidc linkage. | 2)-beta-D-glucoside].html>quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside] |
| quercetin 5,7,3',4'-tetramethyl ether | A tetramethoxyflavone that is the 5,7,3',4'-tetramethy-derivative of quercetin. | quercetin 5,7,3',4'-tetramethyl ether |
| quercetin-3-o-sophoroside | A quercetin O-glucoside that is quercetin attached to a beta-D-sophorosyl residue at position 3 via a glycosidic linkage. | 2)-beta-D-glucoside.html>quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside |
| quercitrin | A quercetin O-glycoside that is quercetin substituted by a alpha-L-rhamnosyl moiety at position 3 via a glycosidic linkage. | quercitrin |
| quinine | An Aspidosperma alkaloid with molecular formula C21H24N2O3 found in the roots of Madagascar periwinkle (Catharanthus roseus, formerly known as Vinca rosea). | lochnericine |
| racemethionine | A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4. | methionine zwitterion; methionine |
| raffinose | A trisaccharide composed of alpha-D-galactopyranose, alpha-D-glucopyranose and beta-D-fructofuranose joined in sequence by 1->6 and 1<->2 glycosidic linkages, respectively. | raffinose |
| resacetophenone | A dihydroxyacetophenone that is acetophenone carrying hydroxy substituents at positions 2' and 4'. | 2',4'-dihydroxyacetophenone |
| reserpine | An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. | reserpine |
| resiniferatoxin | A heteropentacyclic compound found in Euphorbia poissonii with molecular formula C37H40O9. It is an agonist of the transient receptor potential cation channel subfamily V member 1 (TrpV1). | resiniferatoxin |
| resveratrol | A resveratrol in which the double bond has E configuration. | trans-resveratrol |
| reticulin | | reticuline |
| retinol | A retinol in which all four exocyclic double bonds have E- (trans-) geometry. | all-trans-retinol |
| rhamnazin | A dimethoxyflavone that is quercetin in which the hydroxy groups at the 3' and 7 positions have been replaced by methoxy groups. | rhamnacene |
| rhapontin | A rhaponticin in which the double bond adopts a trans-configuration. It possesses a range of pharmacological activities including antitumour, antiinflammatory, antilipemic and neuroprotective activities. | trans-rhaponticin |
| riboflavin | D-Ribitol in which the hydroxy group at position 5 is substituted by a 7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl moiety. It is a nutritional factor found in milk, eggs, malted barley, liver, kidney, heart, and leafy vegetables, but the richest natural source is yeast. The free form occurs only in the retina of the eye, in whey, and in urine; its principal forms in tissues and cells are as flavin mononucleotide and flavin-adenine dinucleotide. | riboflavin |
| ribulose-1,5 diphosphate | A ribulose phosphate that is D-ribulose attached to phosphate groups at positions 1 and 5. It is an intermediate in photosynthesis. | D-ribulose 1,5-bisphosphate |
| robinetin | A pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 7, 3, 4' and 5'. | robinetin |
| robinin | A glycosyloxyflavone that is kaempherol substituted by a 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl residue at position 3 and a 6-deoxy-alpha-L-mannopyranosyl residue at position 7 via a glycosidic linkage. | robinin |
| roburic acid | A tetracyclic triterpenoid with formula C30H40O2 that is isolated from the roots of Gentiana dahurica and Gentiana macrophylla. | roburic acid |
| rosmarinic acid | A stereoisomer of rosmarinic acid having (R)-configuration. | (R)-rosmarinic acid |
| rosmarinic acid | The 1-carboxy-2-(2,4-dihydroxyphenyl)ethyl ester of trans-caffeic acid. | rosmarinic acid |
| rubiadin | A dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 3 and a methyl group at position 2. It has been isolated from Rubia yunnanensis. | rubiadin |
| rubimaillin | A benzochromene that is 2H-benzo[h]chromene which is substituted by two methyl groups at position 2, a methoxycarbonyl group at position 5, and a hydroxy group at position 6. Found in the Chinese medical plant Rubia cordifola, It has an anti-cancer effect by inhibition of TNF-alpha-induced NF-kappaB activation. It is also a dual inhibitor of acyl-CoA:cholesterol acyltransferase 1 and 2 (ACAT1 and ACAT2), but is more selective for the ACAT2 isozyme. | rubimaillin |
| rubusoside | A steviol glycoside that is steviol in which both the carboxy group and the tertiary allylic hydroxy group have been converted to their corresponding beta-D-glucosides. A precious bioactive natural sweetener which mainly exists the in Chinese sweet tea plant, Rubus suavissimus. | rubusoside |
| s-methylcysteine | A cysteine derivative that is L-cysteine in which the hydrogen attached to the sulfur is replaced by a methyl group. | S-methylcysteine zwitterion; S-methylcysteine |
| s-sulphocysteine | An S-substituted L-cysteine where the S-substituent is specified as a sulfo group. | S-sulfo-L-cysteine |
| sabinene | A thujene that is a bicyclic monoterpene isolated from the essential oils of various plant species. | sabinene |
| safrole | A member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted by an allyl group at position 5. It is found in several plants, including black pepper, cinnamon and nutmeg, and is present in several essential oils, notably that of sassafras. It has insecticidal properties and has been used as a topical antiseptic. Although not thought to pose a significant carcinogenic risk to humans, findings of weak carcinogenicity in rats have resulted in the banning of its (previously widespread) use in perfumes and soaps, and as a food additive. | safrole |
| sakuranetin | A flavonoid phytoalexin that is (S)-naringenin in which the hydroxy group at position 7 is replaced by a methoxy group. | sakuranetin |
| salannin | A limonoid with insecticidal activity isolated from Azadirachta indica. | salannin |
| salicylaldehyde | A hydroxybenzaldehyde carrying a hydroxy substituent at position 2. | salicylaldehyde |
| salicylates | A monohydroxybenzoate that is the conjugate base of salicylic acid. | salicylate |
| salicylic acid | A monohydroxybenzoic acid that is benzoic acid with a hydroxy group at the ortho position. It is obtained from the bark of the white willow and wintergreen leaves. | salicylic acid |
| salvianolic acid B | A member of the class of 1-benzofurans that is an antioxidant and free radical scavenging compound extracted from S. miltiorrhiza | salvianolic acid B |
| salvigenin | A trimethoxyflavone that is scutellarein in which the hydroxy groups at positions 4', 6, and 7 are replaced by methoxy groups. | salvigenin |
| salvin | An abietane diterpenoid that is abieta-8,11,13-triene substituted by hydroxy groups at positions 11 and 12 and a carboxy group at position 20. It is isolated from rosemary (Rosmarinus officinalis) and common sage (Salvia officinalis) and exhibits anti-angiogenic, antineoplastic, antioxidant and anti-HIV activity. | carnosic acid |
| sampangine | A copyrine alkaloid with formula C15H8N2O, extracted from several plants including the stem bark of Cananga odorata. It is a heme biosynthesis inhibitor and exhibits antifungal and anticancer properties. | sampangine |
| sandaracopimaric acid | A pimarane diterpenoid that is (1S,4aS,4bS,7R,10aS)-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene carrying a carboxy group at position 1 and a vinyl group at position 7. It is a natural product found in several plant species. | sandaracopimaric acid |
| santin | A trimethoxyflavone that is flavone substituted by methoxy groups at positions 3, 6 and 4' and hydroxy groups at positions 5 and 7 respectively. | santin |
| santonin | A santonin that is 3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione substituted by methyl groups at positions 3, 5a and 9. | alpha-santonin |
| sarsasapogenin, (3beta,5alpha,25r)-isomer | A widely used steroidal sapogenin isolated from several plant species and used for synthesizing steroid drugs. | tigogenin |
| savinin | A lignan that is dihydrofuran-2(3H)-one (gamma-butyrolactone) substituted by a 1,3-benzodioxol-5-ylmethylidene group at position 3 and a 1,3-benzodioxol-5-ylmethyl group at position 4 (the 3E,4R-isomer). It exhibits antiviral activity against SARS-CoV-2. | savinin |
| schizandrin b | An organic heterotetracyclic compound that is found in Fructus Schisandrae and Schisandra chinensis. | (+)-schisandrin B; Deoxygomisin A |
| sclareol | A labdane diterpenoid that is labd-14-ene substituted by hydroxy groups at positions 8 and 13. It has been isolated from Salvia sclarea. | sclareol |
| scoparone | A member of the class of coumarins that is esculetin in which the two hydroxy groups at positions 6 and 7 are replaced by methoxy groups. It is a major constituent of the Chinese herbal medicine Yin Chen Hao, and exhibits a variety of pharmacological activities such as anti-inflammatory, anti-allergic, and anti-tumor activities. | scoparone |
| scopoletin | A hydroxycoumarin that is umbelliferone bearing a methoxy substituent at position 6. | scopoletin |
| scopolin | A member of the class of coumarins that is scopoletin attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. | scopolin |
| sebacic acid | An alpha,omega-dicarboxylic acid that is the 1,8-dicarboxy derivative of octane. | sebacic acid |
| secoisolariciresinol | An enantiomer of secoisolariciresinol having (-)-(2R,3R)-configuration. | (-)-secoisolariciresinol |
| secologanin | An iridoid monoterpenoid that is acetaldehyde in which on of the hydrogens of the methyl group has been replaced by a 2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-4-yl group which is substituted at positions 3 and 5 by a vinyl and a methoxycarbonyl group, respectively (the 2S,3R,4S stereoisomer). | (-)-secologanin |
| secoxyloganin | A secoiridoid glycoside that is [(2R,3R,4S)-2-hydroxy-5-(methoxycarbonyl)-3-vinyl-3,4-dihydro-2H-pyran-4-yl]acetic acid in which the anometric hydroxy group has been converted to the corresponding beta-D-glucoside. It has been isolated from several plant species and exhibits antioxidant and anti-allergic properties. | secoxyloganin |
| selenomethionine | A selenoamino acid that is the selenium analogue of methionine. | selenomethionine |
| selenomethionine | An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-selenomethionine; major species at pH 7.3. | L-selenomethionine zwitterion; L-selenomethionine |
| semilicoisoflavone b | A member of the class of 7-hydroxyisoflavones that is 2',2'-dimethyl-2'H,4H-3,6'-bichromen-4-one substituted by hydroxy groups at positions 5, 7 and 8'. It has been isolated from Glycyrrhiza uralensis. | semilicoisoflavone B |
| senecioic acid | A methyl-branched fatty acid that is but-2-enoic acid bearing a methyl substituent at position 3. | 3-methylbut-2-enoic acid |
| senecionine | A pyrrolizidine alkaloid isolated from the plant species of the genus Senecio. | senecionine |
| senegalensin | A trihydroxyflavanone that is (S)-naringenin substituted by prenyl groups at positions 6 and 8. | 6,8-diprenylnaringenin |
| sesamin | A lignan that consists of tetrahydro-1H,3H-furo[3,4-c]furan substituted by 1,3-benzodioxole groups at positions 1 and 4 (the 1S,3aR,4S,6aR stereoisomer). Isolated from Cinnamomum camphora, it exhibits cytotoxic activity. | (+)-sesamin |
| sesaminol | A furofuran that is cis-tetrahydro-1H,3H-furo[3,4-c]furan substituted by a 6-hydroxy-1,3-benzodioxol-5-yl group at position 1S and a 1,3-benzodioxol-5-yl group at position 4S. It is metabolite found in sesame seeds. | sesaminol |
| shikimic acid | A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid substituted by hydroxy groups at positions 3, 4 and 5 (the 3R,4S,5R stereoisomer). It is an intermediate metabolite in plants and microorganisms. | shikimic acid |
| sideroxylin | A monomethoxyflavone that is flavone substituted by a methoxy group at position 7, hydroxy groups at positions 5 and 4' and methyl groups at positions 6 and 8. It has been isolated from Hydrastis canadensis and Eucalyptus species. | sideroxylin |
| silybin | A flavonolignan isolated from milk thistle, Silybum marianum, that has been shown to exhibit antioxidant and antineoplastic activities. | silibinin |
| sinapaldehyde | A member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5. | (E)-sinapaldehyde |
| sinapine | An acylcholine in which the acyl group specified is sinapoyl. | sinapine |
| sinapinic acid | A sinapic acid in which the double bond has trans-configuration. | trans-sinapic acid |
| sinensetin | A pentamethoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 3' and 4' respectively. | sinensetin |
| sitosterol, (3beta)-isomer | A member of the class of phytosterols that is stigmast-5-ene substituted by a beta-hydroxy group at position 3. | sitosterol |
| skullcapflavone ii | A tetramethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7, 8 and 6' and hydroxy groups at positons 5 and 2' respectively. | scullcapflavone II |
| sodium benzoate | An organic sodium salt resulting from the replacement of the proton from the carboxy group of benzoic acid by a sodium ion. | sodium benzoate |
| sofalcone | A member of the class of chalcones that is benzene in which the hydrogens at positions 1,2 and 5 are replaced by carboxymethoxy, (1E)-1-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-3-oxoprop-1-en-3-yl, and (3-methylbut-2-en-1-yl)oxy groups, respectively. It is a gastrointestinal drug currently used for treatment of gastritis and gastric ulcers in Japan and South Korea. | sofalcone |
| solanesol | A nonaprenol that is hexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol substituted by 9 methyl groups at positions 3, 7, 11, 15, 19, 23, 27, 31 and 35 (the all-trans0stereoisomer). | solanesol |
| solanidine | | solanidine |
| solasodine | An oxaspiro compound and steroid alkaloid sapogenin with formula C27H43NO2 found in the Solanum (nightshade) family. It is used as a precursor in the synthesis of complex steroidal compounds such as contraceptive pills. | solasodine |
| solavetivone | A cyclic ketone derived from spiro[4.5]dec-6-en-8-one by substitution of hydrogens by methyl groups at positions 6 and 10, and by an isopropenyl group at position 2 (the (2R,5S,10R)-diastereoisomer). | solavetivone |
| sophoranone | A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 7 and 4' and prenyl groups at positions 3' and 5' respectively. | sophoranone |
| soranjidiol | A member of the class of hydroxyanthraquinones that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 6 and a methyl group at position 2. It has been isolated from the roots of Rubia yunnanensis. | 1,6-dihydroxy-2-methyl-9,10-anthraquinone |
| spathulenol | A tricyclic sesquiterpenoid that is 4-methylidenedecahydro-1H-cyclopropa[e]azulene carrying three methyl substituents at positions 1, 1 and 7 as well as a hydroxy substituent at position 7. | spathulenol |
| spinosin | A flavone C-glycoside that is flavone substituted by hydroxy groups at positions 5 and 4', a methoxy group at position 7 and a 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl residue at position 6 via a C-glycosidic linkage. | spinosin |
| spiraeoside | A quercetin O-glucoside that is quercetin with a beta-D-glucosyl residue attached at position 4'. | quercetin 4'-O-beta-D-glucopyranoside |
| squalene | A triterpene consisting of 2,6,10,15,19,23-hexamethyltetracosane having six double bonds at the 2-, 6-, 10-, 14-, 18- and 22-positions with (all-E)-configuration. | squalene |
| stachydrine | An amino acid betaine that is L-proline zwitterion in which both of the hydrogens attached to the nitrogen are replaced by methyl groups. | L-proline betaine |
| stachyose | A tetrasaccharide consisting of sucrose having an alpha-D-galactosyl-(1->6)-alpha-D-galactosyl moiety attached at the 6-position of the glucose. | stachyose |
| stearic acid | A C18 straight-chain saturated fatty acid component of many animal and vegetable lipids. As well as in the diet, it is used in hardening soaps, softening plastics and in making cosmetics, candles and plastics. | octadecanoic acid |
| stearidonic acid | An octadecatetraenoic acid having four double bonds located at positions 6, 9, 12 and 15 (the all-cis-isomer). It has been isolated from Lithospermum officinale and fish oils. | all-cis-octadeca-6,9,12,15-tetraenoic acid |
| stearyl alcohol | A long-chain primary fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of 18 carbon atoms. | octadecan-1-ol |
| stemmadenine | A monoterpenoid indole alkaloid with formula C21H26N2O3, isolated from several plant species including Rhazya stricta, Tabernaemontana dichotoma and Aspidosperma pyricollum. | 15alpha-stemmadenine |
| stevioside | A diterpene glycoside that is rubusoside in which the hydroxy group at position 2 of the allylic beta-D-glucoside has been converted to the corresponding beta-D-glucoside. It is a natural herbal sweetener that is 250-300 times sweeter than sucrose (though with a bitter aftertaste), extracted from the Stevia rebaudiana plant native to South America. | stevioside |
| stigmastanol | A 3-hydroxy steroid that is 5alpha-stigmastane which is substituted at the 3beta position by a hydroxy group. | stigmastanol |
| stigmasterol | A 3beta-sterol that consists of 3beta-hydroxystigmastane having double bonds at the 5,6- and 22,23-positions. | stigmasterol |
| strychnine n-oxide | A tertiary amine oxide resulting from the oxidation of the non-acylated nitrogen of strychnine. It is a metabolite of strychnine. | strychnine N-oxide |
| styrene | A vinylarene that is benzene carrying a vinyl group. It has been isolated from the benzoin resin produced by Styrax species. | styrene |
| 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. | suberosin |
| sugiol | An abietane diterpenoid that is ferruginol in which the methylene group para to the phenolic hydroxy group has been substituted by an oxo group. | sugiol |
| sulforaphane | An isothiocyanate having a 4-(methylsulfinyl)butyl group attached to the nitrogen. | sulforaphane |
| swainsonine | An indolizidine alkaloid isolated from the plant Swainsona canescens with three hydroxy substituents at positions 1, 2 and 8. | swainsonine |
| swertisin | A flavone C-glycoside that is 7-O-methylapigenin in which the hydrogen at position 6 has been replaced by a beta-D-glucosyl residue. | swertisin |
| synephrine | A phenethylamine alkaloid that is 4-(2-aminoethyl)phenol substituted by a hydroxy group at position 1 and a methyl group at the amino nitrogen. | synephrine |
| syringaldehyde | A hydroxybenzaldehyde that is 4-hydroxybenzaldehyde substituted by methoxy groups at positions 3 and 5. Isolated from Pisonia aculeata and Panax japonicus var. major, it exhibits hypoglycemic activity. | syringaldehyde |
| syringaresinol | A lignan that is 7,9':7',9-diepoxylignane substituted by hydroxy groups at positions 4 and 4' and methoxy groups at positions 3, 3', 5 and 5' respectively. | syringaresinol |
| syringic acid | A dimethoxybenzene that is 3,5-dimethyl ether derivative of gallic acid. | syringic acid |
| syringin | A monosaccharide derivative that is trans-sinapyl alcohol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. | syringin |
| t-cadinol | A cadinane sesquiterpenoid that is cadin-4-ene carrying a hydroxy substituent at position 10. | tau-cadinol |
| t-muurolol | A cadinane sesquiterpenoid that consists of 4-isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene having a hydroxy substituent at position 1 and (1S,4S,4aR,8aS)-configuration. | (-)-Tau-muurolol |
| taiwanin c | A furonaphthodioxole that is furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one substituted by a 1,3-benzodioxol-5-yl group at position 5. It is a naturally occurring lignan extracted from Taiwania cryptomerioides and found to be a potential inhibitor of COX2 expression. | taiwanin C |
| tangeretin | A pentamethoxyflavone flavone with methoxy groups at positions 4', 5, 6 , 7 and 8. | tangeretin |
| tartronic acid | A dicarboxylic acid that is malonic acid substituted by a hydroxy group at position 2. | hydroxymalonic acid |
| tectochrysin | A monohydroxyflavone that is flavone substituted by a hydroxy group at position 4 and a methoxy group at position 7 respectively. | tectochrysin |
| tectoridin | A glycosyloxyisoflavone that is tectorigenin substituted by a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. | tectoridin |
| tectorigenin | A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 5, 7 and 4' respectively. | tectorigenin |
| terpinolene | A p-menthadiene with double bonds at positions 1 and 4(8). | terpinolene |
| tetracosane | A straight-chain alkane containing 24 carbon atoms. | tetracosane |
| tetradecanal | A long-chain fatty aldehyde that is tetradecane in which two hydrogens attached to a terminal carbon are replaced by an oxo group. It is found in coriander. | tetradecanal |
| tetradecanoylphorbol acetate | A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted into the corresponding acetate and myristate esters. It is a major active constituent of the seed oil of Croton tiglium. It has been used as a tumour promoting agent for skin carcinogenesis in rodents and is associated with increased cell proliferation of malignant cells. However its function is controversial since a decrease in cell proliferation has also been observed in several cancer cell types. | phorbol 13-acetate 12-myristate |
| tetrahydroalstonine | A heteropentacyclic compound that is (20alpha)-16,17-didehydro-18-oxayohimban which is substituted at position 16 by a methoxycarbonyl group and at position 19 by a methyl group. It is a metabolite found in several plant species. | tetrahydroalstonine |
| tetrahydroxycurcumin | A beta-diketone that is curcumin in which the two methoxy groups have been replaced by hydroxy groups. It is a metabolite of curcumin. | tetrahydroxycurcumin |
| theanine | A N(5)-alkylglutamine where the alkyl group is ethyl. It has been isolated from green tea. | N(5)-ethyl-L-glutamine zwitterion; N(5)-ethyl-L-glutamine |
| theanine | An amino acid zwitterion of N(5)-ethyl-L-glutamine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. | N(5)-ethyl-L-glutamine zwitterion; N(5)-ethyl-L-glutamine |
| theasinensin a | A biflavonoid that is obtained by coupling of two molecules of (-)-epigallocatechin 3-gallate resulting in a bond between positions C-2 of the hydroxyphenyl ring. It is a natural product found in oolong tea. | theasinensin A |
| theobromine | A dimethylxanthine having the two methyl groups located at positions 3 and 7. A purine alkaloid derived from the cacao plant, it is found in chocolate, as well as in a number of other foods, and is a vasodilator, diuretic and heart stimulator. | theobromine |
| threonine | An optically active form of threonine having L-configuration. | L-threonine zwitterion; L-threonine |
| thujopsene | A thujopsene that has (S,S,S)-configuration. | (-)-thujopsene |
| thunberginol f | An isobenzofuranone that is 2-benzofuran-1(3H)-one substituted by a hydroxy group at position 7 and a 3,4-dihydroxybenzylidene group at position 3. It has been isolated from the roots of Scorzonera judaica. | thunberginol F |
| thymoquinone | A member of the class of 1,4-benzoquinones that is 1,4-bezoquinone in which the hydrogens at positions 2 and 5 are replaced by methyl and isopropyl groups, respectively. It is a natural compound isolated from Nigella sativa which has demonstrated promising chemotherapeutic activity. | thymoquinone |
| tiglic acid | A 2-methylbut-2-enoic acid having its double bond in trans-configuration. | tiglic acid |
| tiliroside | A glycosyloxyflavone that is kaempferol attached to a 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. | tribuloside |
| tocotrienol, alpha | A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 5, 7 and 8 and a farnesyl chain at position 2. It has been found in palm oil derived from Elaeis guineensis. | alpha-tocotrienol |
| tocotrienol, beta | A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 5 and 8 and a farnesyl chain at position 2. It has been isolated from various cultivars of wheat. | beta-tocotrienol |
| tocotrienol, delta | A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2 and 8 and a farnesyl chain at position 2. | delta-tocotrienol |
| trans-4-coumaric acid | The trans-isomer of 4-coumaric acid. | trans-4-coumaric acid |
| trans-phytol | A diterpenoid that is hexadec-2-en-1-ol substituted by methyl groups at positions 3, 7, 11 and 15. | phytol |
| triacetin | A triglyceride obtained by acetylation of the three hydroxy groups of glycerol. It has fungistatic properties (based on release of acetic acid) and has been used in the topical treatment of minor dermatophyte infections. | triacetin |
| tricaprylin | A triglyceride obtained by acylation of the three hydroxy groups of glycerol by octanoic acid. Used as an alternative energy source to glucose for patients with mild to moderate Alzheimer's disease. | trioctanoin |
| tricin 4'-o-(threo-beta-guaiacylglyceryl) ether | A flavonolignan isolated from the stems of Sinocalamus affinis. | (-)-(7''S,8''S)-4'',5,7-trihydroxy-3',3'',5'-trimethoxy-4',8''-oxyflavonolignan-7'',9''-diol |
| tricosanoic acid | A very long-chain fatty acid that is tricosane in which one of the methyl groups has been oxidised to the corresponding carboxylic acid. | tricosanoic acid |
| tridecane | A straight chain alkane containing 13 carbon atoms. It forms a component of the essential oils isolated from plants such as Abelmoschus esculentus. | tridecane |
| tridecanoic acid | A C13 straight-chain saturated fatty acid. | tridecanoic acid |
| trigonelline | An iminium betaine that is the conjugate base of N-methylnicotinic acid, arising from deprotonation of the carboxy group. | N-methylnicotinate |
| trilobacin | A polyketide isolated from the bark of Asimina triloba. It has been shown to exhibit cytotoxicity in the NCI human tumor cell line screen. | trilobacin |
| trilobatin | An aryl beta-D-glucoside that is phloretin attached to a beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage. It is isolated from the leaves of the Chinese sweet tea Lithocarpus polystachyus and exhibits significant anti-hyperglycemic, anti-oxidative and anti-inflammatory properties. | trilobatin |
| triolein | A triglyceride formed by esterification of the three hydroxy groups of glycerol with oleic acid. Triolein is one of the two components of Lorenzo's oil. | triolein |
| triphosphate | An indole alkaloid that is sarpagan in which the methyl group attached to position 16 has been oxidised to the corresponding aldehyde. | vellosimine |
| triptohypol C | A pentacyclic triterpenoid with formula C29H40O4, originally isolated from the root bark of Tripterygium regelii. | triptohypol C |
| triptolide | | Triptolide |
| triptotriterpenic acid a | A pentacyclic triterpenoid with formula C30H48O4, originally isolated from Tripterygium hypoglaucum. | triptotriterpenic acid A |
| tristearin | A triglyceride that is glycerol in which all three hydroxy groups have been formally esterified with stearic acid. | tristearoylglycerol |
| tryptamine | An aminoalkylindole consisting of indole having a 2-aminoethyl group at the 3-position. | tryptamine |
| tryptophan | The L-enantiomer of tryptophan. | L-tryptophan zwitterion; L-tryptophan |
| tryptophol | An indolyl alcohol that is ethanol substituted by a 1H-indol-3-yl group at position 2. | tryptophol |
| tuberonic acid | An oxo monocarboxylic acid that is (+)-7-isojasmonic acid in which one of the hydrogens of the side-chain methyl group is replaced by a hydroxy group. | tuberonic acid |
| undecan-1-ol | A primary alcohol that is undecane substituted by a hydroxy group at position 1. | undecan-1-ol |
| undecan-2-one | A dialkyl ketone with methyl and nonyl as the two alkyl groups. | undecan-2-one |
| undecanal | A saturated fatty aldehyde formally arising from reduction of the carboxylic acid group of undecanoic acid. It is a component of essential oils from citrus plants like Citrus reticulata. | undecanal |
| undecylenic acid | An undecenoic acid having its double bond in the 10-position. It is derived from castor oil and is used for the treatment of skin problems. | 10-undecenoic acid |
| ursolic acid | A pentacyclic triterpenoid that is urs-12-en-28-oic acid substituted by a beta-hydroxy group at position 3. | ursolic acid |
| uvaretin | A member of the class of dihydrochalcones that is 1,3-diphenylpropan-1-one in which the phenyl group that is bonded to the carbonyl group is substituted by hydroxy groups at positions 2 and 4, an o-hydroxybenzyl group at position 3, and a methoxy group at position 6. A cytotoxic natural product found particularly in Uvaria acuminata and Uvaria chamae. | uvaretin |
| valerates | A short-chain fatty acid anion that is the conjugate base of valeric acid; present in ester form as component of many steroid-based pharmaceuticals. | valerate |
| valerenic acid | A monocarboxylic acid that is 2-methylprop-2-enoic acid which is substituted at position 3 by a 3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl group. A bicyclic sesquiterpenoid constituent of the essential oil of the Valerian plant. | valerenic acid |
| valerophenone | An aromatic ketone that consists of benzene substituted by a pentanoyl group. | valerophenone |
| vanillic acid | A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3. | vanillic acid |
| vanillin | A member of the class of benzaldehydes carrying methoxy and hydroxy substituents at positions 3 and 4 respectively. | vanillin |
| vanillyl alcohol | A monomethoxybenzene that is 2-methoxyphenol substituted by a hydroxymethyl group at position 4. | vanillyl alcohol |
| vedelianin | A stilbenoid derivative isolated from Macaranga alnifolia and Macaranga alnifolia and has been shown to exhibit cytotoxic activity. | vedelianin |
| veratric acid | A member of the class of benzoic acids that is benzoic acid substituted by methoxy groups at positions 2 and 3. | 3,4-dimethoxybenzoic acid |
| veratrole | A dimethoxybenzene with the methoxy groups at ortho-positions. | veratrole |
| vestitol | A member of the class of hydroxyisoflavans that is isoflavan substituted by hydroxy groups at positions 7 and 2' and a methoxy group at position 4'. Isolated from Glycyrrhiza uralensis, it exhibits anti-inflammatory activity. | vestitol |
| vexibinol | A tetrahydroxyflavanone having a structure of naringenin bearing an additional hydroxyl substituent at position 2' as well as a (2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl (lavandulyl) substituent at position 8'. | sophoraflavanone G |
| vibsanin b | A vibsane diterpenoid that is (2Z,6E,10E)-cycloundeca-2,6,10-trien-1-one which is substituted at positions 2, 5, 5, 8, 9, and 9 by hydroxymethyl, methyl, 2-methylpent-2-en-5-yl, 3-methylbut-2-enoyloxy, hydroxy, and methyl groups, respectively (the 5S,8R,9R stereoisomer). It has been found to inhibit root growth in rice seedlings (IC50 0.14 mM). | vibsanin B |
| vincaleukoblastine | | vincaleukoblastine |
| vincristine | A vinca alkaloid with formula C46H56N4O10 found in the Madagascar periwinkle, Catharanthus roseus. It is used (commonly as the corresponding sulfate salt)as a chemotherapy drug for the treatment of leukaemia, lymphoma, myeloma, breast cancer and head and neck cancer. | vincristine |
| vindolinine | A monoterpenoid indole alkaloid with formula C21H24N2O2, isolated from several plant species. | vindolinine |
| viridiflorol | A carbotricyclic compound that is (1aS,4aR,7aR,7bR)-decahydro-1H-cyclopropa[e]azulene carrying four methyl substituents at positions 1, 1, 4 and 7 as well as a hydroxy substituent at position 4. It is a sesquiterpenoid isolated from several plant species and is a strong feeding deterrent for the melaleuca weevil that retards larval development. | viridiflorol |
| visnagin | A furanochromone that is furo[3,2-g]chromen-5-one which is substituted at positions 4 and 7 by methoxy and methyl groups, respectively. Found in the toothpick-plant, Ammi visnaga. | visnagin |
| vitamin d 2 | A vitamin D supplement and has been isolated from alfalfa. | vitamin D2 |
| vitamin k 1 | A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones. | phylloquinone |
| vitexin | An apigenin flavone glycoside, which is found in the passion flower, bamboo leaves and pearl millet | vitexin |
| vitexin rhamnoside | A derivative of vitexin having an alpha-L-rhamnosyl residue attached at the 2''-position of the glucitol moiety. | vitexin 2''-O-alpha-L-rhamnoside |
| voacamine | A monoterpenoid indole alkaloid with formula C22H28N2O3, isolated from several plant species. | (-)-voacangine |
| wighteone | A member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4' and a prenyl group at position 6. It has been isolated from Ficus mucuso. | wighteone |
| wilforgine | A dihydroagarofuran sesquiterpenoid and pyridine alkaloid with formula C41H47NO19 originally isolated from the roots of Tripterygium wilfordii. | wilforgine |
| wogonin | A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-8. | wogonin |
| xanthomicrol | A trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7 and 8 and hydroxy groups at positions 5 and 4'. | xanthomicrol |
| xanthoxin | | 2-cis,4-trans-xanthoxin |
| yatein | A member of the class of butan-4-olides carrying 3,4,5-trimethoxybenzyl and (1,3-benzodioxol-5-yl)methyl substituents at positions 3 and 4 respectively. | dihydroanhydropodorhizol |
| yunaconitine | A diterpene alkaloid with formula C35H49NO11 that is isolated from several Aconitum species. | yunaconitine |
| zeatin | The trans-isomer of zeatin. | trans-zeatin |
| zeatin riboside | A 9-ribosylzeatin having trans-zeatin as the nucleobase. | 9-ribosyl-trans-zeatin |
| zerumbone | A sesquiterpenoid and cyclic ketone that is (1E,4E,8E)-alpha-humulene which is substituted by an oxo group at the carbon atom attached to two double bonds. It is obtained by steam distillation from a type of edible ginger, Zingiber zerumbet Smith, grown particularly in southeast Asia. | zerumbone |
| zingerone | A methyl ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at positions 3 and 4 by methoxy and hydroxy groups respectively. The major pungent component in ginger. | zingerone |
| zosteric acid | An aryl sulfate that is (2E)-3-phenylprop-2-enoic acid which is substituted by a sulfooxy group at position 4. It is produced by the seagrass Zostera marina and has very promising antifouling potential against several micro- and macrofouling organisms. | 4-(sulfooxy)-cinnamic acid |
| Protein | Taxonomy | Measurement | Average (mM) | Bioassay(s) | Drugs |
|---|
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase | Escherichia coli K-12 | IC50 | 2.5000 | 1 | 5 |
| 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 | Bos taurus (cattle) | IC50 | 29.0000 | 1 | 1 |
| 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 | Homo sapiens (human) | IC50 | 29.0000 | 1 | 1 |
| 1,3-beta-D-glucan synthase catalytic subunit | Candida albicans | IC50 | 90.0000 | 1 | 1 |
| 10 kDa chaperonin | Escherichia coli | IC50 | 19.4514 | 2 | 14 |
| 10 kDa heat shock protein, mitochondrial | Homo sapiens (human) | IC50 | 28.8429 | 1 | 7 |
| 14-3-3 protein gamma | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| 17-beta-hydroxysteroid dehydrogenase type 1 | Homo sapiens (human) | IC50 | 2.9620 | 2 | 5 |
| 17-beta-hydroxysteroid dehydrogenase type 2 | Homo sapiens (human) | IC50 | 7.0593 | 2 | 14 |
| 2-5A-dependent ribonuclease | Homo sapiens (human) | IC50 | 76.6217 | 4 | 6 |
| 20-hydroxy-ecdysone receptor | Leptinotarsa decemlineata (Colorado potato beetle) | IC50 | 0.4365 | 1 | 1 |
| 20-hydroxy-ecdysone receptor | Nezara viridula (southern green stink bug) | IC50 | 2.8490 | 3 | 3 |
| 20-hydroxy-ecdysone receptor | Spodoptera frugiperda (fall armyworm) | IC50 | 0.1660 | 1 | 1 |
| 20-hydroxy-ecdysone receptor | Nezara viridula (southern green stink bug) | Ki | 2.7500 | 2 | 2 |
| 3-dehydroquinate synthase | Escherichia coli K-12 | Ki | 404.7500 | 2 | 4 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Homo sapiens (human) | IC50 | 4.0000 | 1 | 1 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Homo sapiens (human) | Ki | 0.0235 | 1 | 1 |
| 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ | Yersinia pseudotuberculosis YPIII | IC50 | 21.6500 | 1 | 4 |
| 3-oxoacyl-[acyl-carrier-protein] reductase | Plasmodium falciparum 3D7 | IC50 | 0.3200 | 1 | 1 |
| 3-oxoacyl-[acyl-carrier-protein] synthase 3 | Escherichia coli | IC50 | 43.4000 | 1 | 1 |
| 3-oxoacyl-acyl-carrier protein reductase | Plasmodium falciparum (malaria parasite P. falciparum) | IC50 | 15.8778 | 1 | 9 |
| 3-oxoacyl-acyl-carrier protein reductase | Plasmodium falciparum (malaria parasite P. falciparum) | Ki | 1.3000 | 2 | 2 |
| 4-aminobutyrate aminotransferase, mitochondrial | Homo sapiens (human) | IC50 | 2,127.7000 | 2 | 8 |
| 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase FUT6 | Homo sapiens (human) | IC50 | 74.4380 | 1 | 20 |
| 5-hydroxytryptamine receptor 1A | Homo sapiens (human) | IC50 | 0.0280 | 2 | 2 |
| 5-hydroxytryptamine receptor 1A | Rattus norvegicus (Norway rat) | IC50 | 2.0055 | 2 | 2 |
| 5-hydroxytryptamine receptor 1A | Homo sapiens (human) | Ki | 21.0347 | 5 | 5 |
| 5-hydroxytryptamine receptor 1A | Rattus norvegicus (Norway rat) | Ki | 0.0699 | 7 | 9 |
| 5-hydroxytryptamine receptor 1B | Homo sapiens (human) | IC50 | 0.5500 | 1 | 1 |
| 5-hydroxytryptamine receptor 1B | Homo sapiens (human) | Ki | 0.0360 | 1 | 1 |
| 5-hydroxytryptamine receptor 1B | Rattus norvegicus (Norway rat) | Ki | 1.8393 | 4 | 6 |
| 5-hydroxytryptamine receptor 1D | Cavia porcellus (domestic guinea pig) | IC50 | 0.0490 | 1 | 1 |
| 5-hydroxytryptamine receptor 1D | Homo sapiens (human) | IC50 | 0.0490 | 1 | 1 |
| 5-hydroxytryptamine receptor 1D | Homo sapiens (human) | Ki | 0.0610 | 1 | 1 |
| 5-hydroxytryptamine receptor 1D | Rattus norvegicus (Norway rat) | Ki | 0.1755 | 2 | 2 |
| 5-hydroxytryptamine receptor 1D | Sus scrofa (pig) | Ki | 4.0940 | 1 | 1 |
| 5-hydroxytryptamine receptor 1F | Rattus norvegicus (Norway rat) | Ki | 0.1755 | 2 | 2 |
| 5-hydroxytryptamine receptor 2A | Homo sapiens (human) | IC50 | 10.4690 | 1 | 1 |
| 5-hydroxytryptamine receptor 2A | Rattus norvegicus (Norway rat) | IC50 | 5.7801 | 7 | 7 |
| 5-hydroxytryptamine receptor 2A | Homo sapiens (human) | Ki | 0.9390 | 7 | 7 |
| 5-hydroxytryptamine receptor 2A | Rattus norvegicus (Norway rat) | Ki | 0.9891 | 10 | 13 |
| 5-hydroxytryptamine receptor 2B | Homo sapiens (human) | IC50 | 0.9700 | 1 | 1 |
| 5-hydroxytryptamine receptor 2B | Rattus norvegicus (Norway rat) | IC50 | 0.6768 | 6 | 6 |
| 5-hydroxytryptamine receptor 2B | Homo sapiens (human) | Ki | 0.2627 | 3 | 3 |
| 5-hydroxytryptamine receptor 2B | Rattus norvegicus (Norway rat) | Ki | 0.6296 | 7 | 9 |
| 5-hydroxytryptamine receptor 2C | Homo sapiens (human) | IC50 | 5.7987 | 2 | 3 |
| 5-hydroxytryptamine receptor 2C | Rattus norvegicus (Norway rat) | IC50 | 0.6159 | 7 | 7 |
| 5-hydroxytryptamine receptor 2C | Homo sapiens (human) | Ki | 1.6665 | 6 | 8 |
| 5-hydroxytryptamine receptor 2C | Rattus norvegicus (Norway rat) | Ki | 0.6626 | 8 | 10 |
| 5-hydroxytryptamine receptor 3A | Homo sapiens (human) | IC50 | 141.2540 | 1 | 1 |
| 5-hydroxytryptamine receptor 3A | Homo sapiens (human) | Ki | 71.0000 | 1 | 2 |
| 5-hydroxytryptamine receptor 3A | Rattus norvegicus (Norway rat) | Ki | 0.3010 | 1 | 1 |
| 5-hydroxytryptamine receptor 3B | Homo sapiens (human) | Ki | 71.0000 | 1 | 2 |
| 5-hydroxytryptamine receptor 3B | Rattus norvegicus (Norway rat) | Ki | 0.3010 | 1 | 1 |
| 5-hydroxytryptamine receptor 3C | Homo sapiens (human) | Ki | 71.0000 | 1 | 2 |
| 5-hydroxytryptamine receptor 3D | Homo sapiens (human) | Ki | 71.0000 | 1 | 2 |
| 5-hydroxytryptamine receptor 3E | Homo sapiens (human) | Ki | 71.0000 | 1 | 2 |
| 5-hydroxytryptamine receptor 4 | Cavia porcellus (domestic guinea pig) | IC50 | 8.5730 | 1 | 2 |
| 5-hydroxytryptamine receptor 4 | Cavia porcellus (domestic guinea pig) | Ki | 4.4885 | 1 | 2 |
| 5-hydroxytryptamine receptor 4 | Rattus norvegicus (Norway rat) | Ki | 0.3010 | 1 | 1 |
| 5-hydroxytryptamine receptor 5A | Rattus norvegicus (Norway rat) | Ki | 0.3010 | 1 | 1 |
| 5-hydroxytryptamine receptor 5B | Rattus norvegicus (Norway rat) | Ki | 0.3010 | 1 | 1 |
| 5-hydroxytryptamine receptor 6 | Homo sapiens (human) | Ki | 0.0606 | 4 | 5 |
| 5-hydroxytryptamine receptor 6 | Rattus norvegicus (Norway rat) | Ki | 0.3010 | 1 | 1 |
| 5-hydroxytryptamine receptor 7 | Cavia porcellus (domestic guinea pig) | IC50 | 28.0000 | 1 | 2 |
| 5-hydroxytryptamine receptor 7 | Homo sapiens (human) | IC50 | 300.0000 | 1 | 3 |
| 5-hydroxytryptamine receptor 7 | Homo sapiens (human) | Ki | 0.0584 | 4 | 4 |
| 5-hydroxytryptamine receptor 7 | Rattus norvegicus (Norway rat) | Ki | 0.1704 | 2 | 2 |
| 5-lipoxygenase | Bos taurus (cattle) | IC50 | 7.6800 | 3 | 5 |
| 5'-nucleotidase | Homo sapiens (human) | IC50 | 6.5567 | 2 | 3 |
| 5'-nucleotidase | Mus musculus (house mouse) | IC50 | 56.2767 | 2 | 3 |
| 5'-nucleotidase | Rattus norvegicus (Norway rat) | IC50 | 80.2000 | 1 | 1 |
| 5'-nucleotidase | Rattus norvegicus (Norway rat) | Ki | 0.0453 | 1 | 1 |
| 6-phosphogluconate dehydrogenase, decarboxylating | Homo sapiens (human) | IC50 | 334.0567 | 1 | 3 |
| 60 kDa chaperonin | Escherichia coli K-12 | IC50 | 250.0000 | 1 | 7 |
| 60 kDa chaperonin | Escherichia coli | IC50 | 19.4514 | 2 | 14 |
| 60 kDa heat shock protein, mitochondrial | Homo sapiens (human) | IC50 | 28.8429 | 1 | 7 |
| 7,8-dihydro-8-oxoguanine triphosphatase | Homo sapiens (human) | IC50 | 27.6940 | 2 | 5 |
| 72 kDa type IV collagenase | Homo sapiens (human) | IC50 | 64.1233 | 4 | 24 |
| 90-kda heat shock protein beta HSP90 beta, partial | Homo sapiens (human) | IC50 | 16.3116 | 2 | 2 |
| Accessory gene regulator protein A | Staphylococcus aureus | IC50 | 17.1000 | 1 | 1 |
| acetyl-CoA acetyltransferase/HMG-CoA reductase | Enterococcus faecalis | IC50 | 1,265.3900 | 1 | 1 |
| Acetylcholine receptor subunit alpha | Homo sapiens (human) | IC50 | 11.0000 | 2 | 2 |
| Acetylcholine receptor subunit alpha | Tetronarce californica (Pacific electric ray) | IC50 | 0.0025 | 2 | 2 |
| Acetylcholine receptor subunit alpha | Homo sapiens (human) | Ki | 2.7011 | 4 | 5 |
| Acetylcholine receptor subunit alpha | Tetronarce californica (Pacific electric ray) | Ki | 5.5067 | 2 | 3 |
| Acetylcholine receptor subunit beta | Homo sapiens (human) | IC50 | 1.0000 | 1 | 1 |
| Acetylcholine receptor subunit beta | Tetronarce californica (Pacific electric ray) | IC50 | 0.0025 | 2 | 2 |
| Acetylcholine receptor subunit beta | Homo sapiens (human) | Ki | 2.7011 | 4 | 5 |
| Acetylcholine receptor subunit beta | Tetronarce californica (Pacific electric ray) | Ki | 5.5067 | 2 | 3 |
| Acetylcholine receptor subunit beta-like 2 | Drosophila melanogaster (fruit fly) | IC50 | 4.0000 | 1 | 1 |
| Acetylcholine receptor subunit beta-like 2 | Drosophila melanogaster (fruit fly) | Ki | 2.7000 | 1 | 1 |
| Acetylcholine receptor subunit delta | Homo sapiens (human) | IC50 | 1.0000 | 1 | 1 |
| Acetylcholine receptor subunit delta | Tetronarce californica (Pacific electric ray) | IC50 | 0.0025 | 2 | 2 |
| Acetylcholine receptor subunit delta | Homo sapiens (human) | Ki | 2.7011 | 4 | 5 |
| Acetylcholine receptor subunit delta | Tetronarce californica (Pacific electric ray) | Ki | 5.5067 | 2 | 3 |
| Acetylcholine receptor subunit gamma | Homo sapiens (human) | IC50 | 1.0000 | 1 | 1 |
| Acetylcholine receptor subunit gamma | Tetronarce californica (Pacific electric ray) | IC50 | 0.0025 | 2 | 2 |
| Acetylcholine receptor subunit gamma | Homo sapiens (human) | Ki | 2.7011 | 4 | 5 |
| Acetylcholine receptor subunit gamma | Tetronarce californica (Pacific electric ray) | Ki | 5.5067 | 2 | 3 |
| Acetylcholine-binding protein | Lymnaea stagnalis (great pond snail) | Ki | 0.2236 | 7 | 8 |
| Acetylcholinesterase | Electrophorus electricus (electric eel) | IC50 | 28.9922 | 95 | 119 |
| Acetylcholinesterase | Homo sapiens (human) | IC50 | 506.3164 | 86 | 107 |
| Acetylcholinesterase | Mus musculus (house mouse) | IC50 | 160.3167 | 2 | 3 |
| Acetylcholinesterase | Rattus norvegicus (Norway rat) | IC50 | 5.4385 | 10 | 10 |
| Acetylcholinesterase | Tetronarce californica (Pacific electric ray) | IC50 | 104.3904 | 8 | 10 |
| Acetylcholinesterase | Electrophorus electricus (electric eel) | Ki | 32.3508 | 10 | 10 |
| Acetylcholinesterase | Homo sapiens (human) | Ki | 68.0838 | 11 | 30 |
| Acetylcholinesterase | Mus musculus (house mouse) | Ki | 9.3000 | 1 | 1 |
| Acetylcholinesterase | Tetronarce californica (Pacific electric ray) | Ki | 16.0950 | 1 | 2 |
| Acetylcholinesterase | Bos taurus (cattle) | IC50 | 60.5400 | 4 | 4 |
| Acidic phospholipase A2 EC-I | Echis carinatus (saw-scaled viper) | IC50 | 2.3000 | 1 | 1 |
| Acyl carrier protein, mitochondrial | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| Acyl-CoA desaturase 1 | Rattus norvegicus (Norway rat) | Ki | 0.2990 | 1 | 1 |
| Adenosine deaminase | Bos taurus (cattle) | Ki | 150.0000 | 1 | 1 |
| Adenosine receptor A1 | Homo sapiens (human) | IC50 | 19.9040 | 1 | 1 |
| Adenosine receptor A1 | Rattus norvegicus (Norway rat) | IC50 | 1,640.4000 | 4 | 5 |
| Adenosine receptor A1 | Cavia porcellus (domestic guinea pig) | Ki | 100.0000 | 5 | 5 |
| Adenosine receptor A1 | Homo sapiens (human) | Ki | 33.9444 | 16 | 16 |
| Adenosine receptor A1 | Rattus norvegicus (Norway rat) | Ki | 27.3951 | 34 | 59 |
| Adenosine receptor A2a | Homo sapiens (human) | IC50 | 18.9570 | 1 | 2 |
| Adenosine receptor A2a | Rattus norvegicus (Norway rat) | IC50 | 1,028.1269 | 3 | 8 |
| Adenosine receptor A2a | Cavia porcellus (domestic guinea pig) | Ki | 50.0000 | 3 | 3 |
| Adenosine receptor A2a | Homo sapiens (human) | Ki | 20.3295 | 24 | 25 |
| Adenosine receptor A2a | Rattus norvegicus (Norway rat) | Ki | 128.8337 | 29 | 51 |
| Adenosine receptor A2b | Rattus norvegicus (Norway rat) | IC50 | 63.0000 | 1 | 5 |
| Adenosine receptor A2b | Homo sapiens (human) | Ki | 26.7211 | 19 | 19 |
| Adenosine receptor A2b | Mus musculus (house mouse) | Ki | 23.0000 | 1 | 1 |
| Adenosine receptor A2b | Rattus norvegicus (Norway rat) | Ki | 63.3087 | 15 | 23 |
| Adenosine receptor A3 | Homo sapiens (human) | IC50 | 25.6400 | 1 | 1 |
| Adenosine receptor A3 | Homo sapiens (human) | Ki | 31.2054 | 15 | 17 |
| Adenosine receptor A3 | Rattus norvegicus (Norway rat) | Ki | 56.6667 | 6 | 6 |
| Adenylate cyclase | Arthrospira platensis | IC50 | 100.0000 | 1 | 1 |
| Adenylate cyclase type 1 | Homo sapiens (human) | IC50 | 0.0955 | 2 | 2 |
| ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | Homo sapiens (human) | IC50 | 42.7500 | 1 | 10 |
| Albumin | Bos taurus (cattle) | IC50 | 155.3800 | 1 | 1 |
| Albumin | Homo sapiens (human) | Ki | 5,888,440,000.0000 | 1 | 1 |
| albumin precursor | Bos taurus (cattle) | IC50 | 94.2660 | 1 | 1 |
| Aldehyde dehydrogenase family 1 member A3 | Homo sapiens (human) | IC50 | 200.0000 | 1 | 1 |
| Aldehyde dehydrogenase X, mitochondrial | Homo sapiens (human) | IC50 | 5.1000 | 1 | 1 |
| Aldehyde dehydrogenase, mitochondrial | Homo sapiens (human) | IC50 | 4.6033 | 3 | 6 |
| Aldehyde oxidase | Homo sapiens (human) | IC50 | 7.6700 | 1 | 2 |
| Aldehyde oxidase 1 | Cavia porcellus (domestic guinea pig) | Ki | 4.5300 | 1 | 1 |
| Aldo-keto reductase family 1 member A1 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| Aldo-keto reductase family 1 member A1 | Rattus norvegicus (Norway rat) | IC50 | 2.3200 | 1 | 1 |
| Aldo-keto reductase family 1 member A1 | Sus scrofa (pig) | IC50 | 38.4000 | 1 | 1 |
| Aldo-keto reductase family 1 member B1 | Bos taurus (cattle) | IC50 | 12.9871 | 6 | 9 |
| Aldo-keto reductase family 1 member B1 | Homo sapiens (human) | IC50 | 95.8061 | 16 | 50 |
| Aldo-keto reductase family 1 member B1 | Rattus norvegicus (Norway rat) | IC50 | 15.7511 | 11 | 30 |
| Aldo-keto reductase family 1 member B1 | Sus scrofa (pig) | IC50 | 52.3667 | 1 | 3 |
| Aldo-keto reductase family 1 member B1 | Homo sapiens (human) | Ki | 357.1019 | 2 | 7 |
| Aldo-keto reductase family 1 member B1 | Rattus norvegicus (Norway rat) | Ki | 1.3750 | 1 | 2 |
| Aldo-keto reductase family 1 member B10 | Homo sapiens (human) | IC50 | 28.7014 | 6 | 14 |
| Aldo-keto reductase family 1 member B10 | Homo sapiens (human) | Ki | 2.1992 | 5 | 10 |
| Aldo-keto reductase family 1 member C1 | Homo sapiens (human) | IC50 | 5.4800 | 1 | 1 |
| Aldo-keto reductase family 1 member C1 | Homo sapiens (human) | Ki | 106.0000 | 1 | 1 |
| Aldo-keto reductase family 1 member C2 | Homo sapiens (human) | IC50 | 9.2800 | 1 | 1 |
| Aldo-keto reductase family 1 member C2 | Homo sapiens (human) | Ki | 18.0000 | 1 | 1 |
| Aldo-keto reductase family 1 member C21 | Mus musculus (house mouse) | IC50 | 17.5000 | 1 | 3 |
| Aldo-keto reductase family 1 member C21 | Mus musculus (house mouse) | Ki | 11.0000 | 1 | 1 |
| Aldo-keto reductase family 1 member C3 | Homo sapiens (human) | IC50 | 1.3133 | 3 | 3 |
| Aldo-keto reductase family 1 member C3 | Homo sapiens (human) | Ki | 93.0000 | 2 | 2 |
| Aldo-keto reductase family 1 member C4 | Homo sapiens (human) | IC50 | 4.0400 | 1 | 1 |
| Aldo-keto reductase family 1 member C4 | Homo sapiens (human) | Ki | 37.0000 | 1 | 1 |
| ALK tyrosine kinase receptor | Homo sapiens (human) | IC50 | 21.6600 | 2 | 2 |
| alkaline phosphatase, germ cell type preproprotein | Homo sapiens (human) | IC50 | 100.0000 | 1 | 2 |
| alkaline phosphatase, intestinal | Homo sapiens (human) | IC50 | 38.0700 | 2 | 3 |
| Alkaline phosphatase, tissue-nonspecific isozyme | Homo sapiens (human) | IC50 | 63.0200 | 3 | 5 |
| Alkaline phosphatase, tissue-nonspecific isozyme | Bos taurus (cattle) | IC50 | 80.2033 | 3 | 3 |
| alkaline phosphatase, tissue-nonspecific isozyme isoform 1 preproprotein | Homo sapiens (human) | IC50 | 49.0667 | 1 | 3 |
| Alpha-(1,3)-fucosyltransferase 7 | Homo sapiens (human) | IC50 | 74.4380 | 1 | 20 |
| Alpha-1,2-mannosidase | Bacteroides thetaiotaomicron VPI-5482 | Ki | 9.5000 | 2 | 6 |
| alpha-1,2-Mannosidase | Glycine max (soybean) | IC50 | 0.4000 | 1 | 1 |
| Alpha-1,2-mannosidase family protein | Bacteroides thetaiotaomicron VPI-5482 | Ki | 9.5000 | 2 | 4 |
| Alpha-1,2-mannosidase, putative | Bacteroides thetaiotaomicron VPI-5482 | Ki | 9.5000 | 2 | 6 |
| Alpha-1A adrenergic receptor | Homo sapiens (human) | IC50 | 5.4000 | 1 | 1 |
| Alpha-1A adrenergic receptor | Rattus norvegicus (Norway rat) | IC50 | 13.4700 | 2 | 2 |
| Alpha-1A adrenergic receptor | Rattus norvegicus (Norway rat) | Ki | 12.1460 | 2 | 2 |
| Alpha-1B adrenergic receptor | Homo sapiens (human) | IC50 | 833.0000 | 1 | 1 |
| Alpha-1B adrenergic receptor | Rattus norvegicus (Norway rat) | IC50 | 26.6850 | 3 | 4 |
| Alpha-1B adrenergic receptor | Mesocricetus auratus (golden hamster) | Ki | 9.6000 | 1 | 1 |
| Alpha-1B adrenergic receptor | Rattus norvegicus (Norway rat) | Ki | 14.4920 | 1 | 1 |
| Alpha-1D adrenergic receptor | Rattus norvegicus (Norway rat) | IC50 | 1.3000 | 1 | 1 |
| Alpha-1D adrenergic receptor | Rattus norvegicus (Norway rat) | Ki | 8.4000 | 1 | 3 |
| Alpha-2A adrenergic receptor | Homo sapiens (human) | IC50 | 0.0380 | 1 | 1 |
| Alpha-2A adrenergic receptor | Rattus norvegicus (Norway rat) | IC50 | 5.7544 | 1 | 1 |
| Alpha-2A adrenergic receptor | Homo sapiens (human) | Ki | 0.3373 | 2 | 2 |
| Alpha-2A adrenergic receptor | Rattus norvegicus (Norway rat) | Ki | 12,529,675,011.8500 | 4 | 4 |
| Alpha-2B adrenergic receptor | Rattus norvegicus (Norway rat) | IC50 | 5.7544 | 1 | 1 |
| Alpha-2B adrenergic receptor | Homo sapiens (human) | Ki | 3.2000 | 1 | 1 |
| Alpha-2B adrenergic receptor | Rattus norvegicus (Norway rat) | Ki | 12,529,675,011.8500 | 4 | 4 |
| Alpha-2C adrenergic receptor | Homo sapiens (human) | IC50 | 0.1820 | 1 | 1 |
| Alpha-2C adrenergic receptor | Rattus norvegicus (Norway rat) | IC50 | 5.7544 | 1 | 1 |
| Alpha-2C adrenergic receptor | Homo sapiens (human) | Ki | 0.9368 | 3 | 4 |
| Alpha-2C adrenergic receptor | Rattus norvegicus (Norway rat) | Ki | 12,529,675,011.8500 | 4 | 4 |
| Alpha-amylase | Geobacillus stearothermophilus | IC50 | 1.6700 | 1 | 1 |
| Alpha-amylase 1A | Homo sapiens (human) | IC50 | 133.4958 | 4 | 12 |
| Alpha-amylase 1A | Homo sapiens (human) | Ki | 2.6000 | 1 | 1 |
| Alpha-galactosidase A | Homo sapiens (human) | Ki | 18.0000 | 1 | 1 |
| Alpha-glucosidase MAL12 | Saccharomyces cerevisiae S288C | IC50 | 250.8750 | 2 | 12 |
| Alpha-glucosidase MAL12 | Saccharomyces cerevisiae S288C | Ki | 19.7500 | 1 | 2 |
| Alpha-glucosidase MAL32 | Saccharomyces cerevisiae S288C | IC50 | 118.0000 | 1 | 4 |
| Alpha-glucosidase MAL62 | Saccharomyces cerevisiae (brewer's yeast) | IC50 | 212,855.0000 | 2 | 2 |
| Alpha-mannosidase | Canavalia ensiformis (jack bean) | IC50 | 49.0000 | 1 | 1 |
| Alpha-mannosidase | Canavalia ensiformis (jack bean) | Ki | 270.0000 | 1 | 1 |
| Alpha-mannosidase 2 | Drosophila melanogaster (fruit fly) | Ki | 0.0030 | 1 | 1 |
| Alpha-mannosidase 2 | Rattus norvegicus (Norway rat) | Ki | 50.0000 | 1 | 2 |
| Alpha-mannosidase 2C1 | Rattus norvegicus (Norway rat) | IC50 | 1.7500 | 1 | 1 |
| Alpha-synuclein | Homo sapiens (human) | IC50 | 8.7287 | 6 | 15 |
| Alpha-synuclein | Homo sapiens (human) | Ki | 0.5000 | 1 | 1 |
| Amine oxidase [flavin-containing] A | Homo sapiens (human) | IC50 | 40.8876 | 31 | 59 |
| Amine oxidase [flavin-containing] A | Mus musculus (house mouse) | IC50 | 40.4000 | 3 | 3 |
| Amine oxidase [flavin-containing] A | Homo sapiens (human) | Ki | 147.2891 | 10 | 21 |
| Amine oxidase [flavin-containing] A | Mus musculus (house mouse) | Ki | 19.0000 | 1 | 1 |
| Amine oxidase [flavin-containing] A | Bos taurus (cattle) | IC50 | 47.5050 | 2 | 2 |
| Amine oxidase [flavin-containing] A | Rattus norvegicus (Norway rat) | IC50 | 40.3690 | 2 | 2 |
| Amine oxidase [flavin-containing] B | Bos taurus (cattle) | IC50 | 57.5000 | 2 | 2 |
| Amine oxidase [flavin-containing] B | Homo sapiens (human) | IC50 | 39.7198 | 33 | 49 |
| Amine oxidase [flavin-containing] B | Mus musculus (house mouse) | IC50 | 252.9000 | 3 | 4 |
| Amine oxidase [flavin-containing] B | Rattus norvegicus (Norway rat) | IC50 | 12.0226 | 1 | 1 |
| Amine oxidase [flavin-containing] B | Bos taurus (cattle) | Ki | 275.9091 | 1 | 11 |
| Amine oxidase [flavin-containing] B | Homo sapiens (human) | Ki | 454.5557 | 11 | 23 |
| Amine oxidase [flavin-containing] B | Mus musculus (house mouse) | Ki | 253.1825 | 2 | 12 |
| Amine oxidase [flavin-containing] B | Rattus norvegicus (Norway rat) | Ki | 275.9091 | 1 | 11 |
| Amino acid transporter | Rattus norvegicus (Norway rat) | IC50 | 896.1857 | 6 | 7 |
| Aminopeptidase N | Sus scrofa (pig) | IC50 | 100.0000 | 1 | 1 |
| Amyloid-beta precursor protein | Homo sapiens (human) | IC50 | 59.0859 | 34 | 47 |
| Androgen receptor | Homo sapiens (human) | IC50 | 414.1070 | 5 | 8 |
| Androgen receptor | Rattus norvegicus (Norway rat) | IC50 | 192.9366 | 1 | 6 |
| Angiopoietin-1 receptor | Homo sapiens (human) | IC50 | 0.2600 | 1 | 1 |
| Angiotensin-converting enzyme | Mus musculus (house mouse) | IC50 | 700.0000 | 1 | 1 |
| Angiotensin-converting enzyme | Oryctolagus cuniculus (rabbit) | IC50 | 91,513.8412 | 3 | 8 |
| Angiotensin-converting enzyme | Homo sapiens (human) | IC50 | 3,312.3750 | 3 | 4 |
| Angiotensin-converting enzyme | Homo sapiens (human) | Ki | 250.2000 | 1 | 1 |
| Angiotensin-converting enzyme 2 | Homo sapiens (human) | IC50 | 13.3250 | 2 | 4 |
| Anthranilate phosphoribosyltransferase | Mycobacterium tuberculosis CDC1551 | Ki | 119.0000 | 1 | 1 |
| Anthrax toxin receptor 2 | Homo sapiens (human) | IC50 | 240.0907 | 2 | 10 |
| apelin receptor | Homo sapiens (human) | IC50 | 21.3000 | 1 | 1 |
| Apoptosis regulator Bcl-2 | Homo sapiens (human) | IC50 | 0.4500 | 1 | 1 |
| Apoptosis regulator Bcl-2 | Homo sapiens (human) | Ki | 25.4686 | 3 | 4 |
| Apoptotic peptidase activating factor 1 | Homo sapiens (human) | IC50 | 58.1500 | 2 | 2 |
| Arginase | Leishmania amazonensis | IC50 | 12.8333 | 1 | 6 |
| Arginase | Leishmania amazonensis | Ki | 2.6000 | 2 | 4 |
| Arginase-1 | Bos taurus (cattle) | IC50 | 151.6667 | 1 | 3 |
| Arginase-1 | Homo sapiens (human) | IC50 | 622.5000 | 2 | 2 |
| Arginase-1 | Bos taurus (cattle) | Ki | 136.0000 | 3 | 3 |
| Aromatase | Homo sapiens (human) | IC50 | 868,830,788.1435 | 25 | 39 |
| Aromatase | Homo sapiens (human) | Ki | 51.5270 | 6 | 10 |
| Aryl hydrocarbon receptor | Homo sapiens (human) | IC50 | 0.0280 | 1 | 1 |
| Aryl hydrocarbon receptor | Oryctolagus cuniculus (rabbit) | Ki | 0.3743 | 2 | 3 |
| Asc-type amino acid transporter 1 | Rattus norvegicus (Norway rat) | IC50 | 16.0000 | 1 | 1 |
| Aspartate-semialdehyde dehydrogenase | Helicobacter pylori 26695 | IC50 | 0.1800 | 1 | 1 |
| ATP-binding cassette sub-family C member 3 | Homo sapiens (human) | IC50 | 133.0000 | 1 | 12 |
| ATP-dependent translocase ABCB1 | Homo sapiens (human) | IC50 | 36.8729 | 23 | 38 |
| ATP-dependent translocase ABCB1 | Mus musculus (house mouse) | IC50 | 37.7167 | 5 | 6 |
| ATP-dependent translocase ABCB1 | Homo sapiens (human) | Ki | 40.0133 | 5 | 6 |
| ATP-dependent translocase ABCB1 | Mus musculus (house mouse) | Ki | 10.9650 | 2 | 2 |
| Aurora kinase A | Homo sapiens (human) | IC50 | 1.2850 | 2 | 2 |
| Aurora kinase B | Homo sapiens (human) | IC50 | 6.5675 | 4 | 20 |
| Autoinducer 2-binding periplasmic protein LuxP | Vibrio harveyi | IC50 | 37.0000 | 1 | 3 |
| B-cell CLL/lymphoma 9 protein | Homo sapiens (human) | IC50 | 5.2130 | 1 | 1 |
| B-cell CLL/lymphoma 9 protein | Homo sapiens (human) | Ki | 4.8780 | 3 | 3 |
| B2 bradykinin receptor | Cavia porcellus (domestic guinea pig) | IC50 | 4.0000 | 2 | 2 |
| Basic phospholipase A2 1 | Naja melanoleuca (forest cobra) | IC50 | 2.9000 | 1 | 1 |
| Basic phospholipase A2 PLA-A | Protobothrops flavoviridis | IC50 | 2.5000 | 1 | 1 |
| Bcl-2-like protein 1 | Homo sapiens (human) | IC50 | 95.2950 | 2 | 2 |
| bcl-2-like protein 1 isoform Bcl-X(L) | Homo sapiens (human) | IC50 | 108.8030 | 2 | 2 |
| Bcl-2-like protein 10 | Homo sapiens (human) | IC50 | 0.3600 | 1 | 1 |
| Bcl-2-like protein 2 | Homo sapiens (human) | IC50 | 2.3300 | 1 | 1 |
| Bcl-2-related protein A1 | Homo sapiens (human) | IC50 | 1.7900 | 1 | 1 |
| Bcl2-associated agonist of cell death | Homo sapiens (human) | Ki | 0.4900 | 1 | 1 |
| Beta-1 adrenergic receptor | Rattus norvegicus (Norway rat) | Ki | 0.0018 | 1 | 1 |
| Beta-2 adrenergic receptor | Cavia porcellus (domestic guinea pig) | IC50 | 0.2500 | 1 | 1 |
| Beta-carbonic anhydrase 1 | Mycobacterium tuberculosis H37Rv | Ki | 3.4788 | 2 | 8 |
| Beta-galactosidase | Bos taurus (cattle) | IC50 | 2.2500 | 2 | 2 |
| Beta-glucosidase | Agrobacterium tumefaciens | Ki | 12.0000 | 2 | 2 |
| Beta-glucosidase | Prunus avium (sweet cherry) | IC50 | 81.0000 | 1 | 1 |
| Beta-glucosidase A | Caldicellulosiruptor saccharolyticus | IC50 | 218.3333 | 3 | 3 |
| Beta-glucuronidase | Escherichia coli K-12 | IC50 | 8.6333 | 1 | 3 |
| Beta-glucuronidase | Homo sapiens (human) | IC50 | 27.2900 | 2 | 3 |
| Beta-glucuronidase | Rattus norvegicus (Norway rat) | IC50 | 66.7733 | 2 | 3 |
| Beta-hydroxyacyl-ACP dehydratase precursor (Fatty acid synthesis protein) | Plasmodium falciparum (malaria parasite P. falciparum) | IC50 | 5.6530 | 2 | 10 |
| Beta-hydroxyacyl-ACP dehydratase precursor (Fatty acid synthesis protein) | Plasmodium falciparum (malaria parasite P. falciparum) | Ki | 11.5000 | 1 | 1 |
| Beta-lactamase | Enterobacter cloacae | IC50 | 326.2500 | 3 | 4 |
| Beta-lactamase | Escherichia coli K-12 | IC50 | 64.4000 | 5 | 5 |
| Beta-lactamase | Klebsiella pneumoniae | IC50 | 1,290.0000 | 1 | 3 |
| Beta-lactamase class B VIM-2 | Pseudomonas aeruginosa | IC50 | 757.0000 | 1 | 1 |
| Beta-secretase 1 | Homo sapiens (human) | IC50 | 188.8915 | 14 | 31 |
| Beta-secretase 1 | Homo sapiens (human) | Ki | 16.9000 | 5 | 5 |
| Beta-tubulin | Leishmania donovani | IC50 | 1.0000 | 1 | 1 |
| BH3-interacting domain death agonist | Homo sapiens (human) | IC50 | 1.0733 | 6 | 6 |
| Bifunctional dihydrofolate reductase-thymidylate synthase | Leishmania major | IC50 | 2,000.0000 | 1 | 1 |
| Bifunctional epoxide hydrolase 2 | Homo sapiens (human) | IC50 | 20.0903 | 9 | 14 |
| Bifunctional epoxide hydrolase 2 | Mus musculus (house mouse) | IC50 | 0.4220 | 1 | 1 |
| Bifunctional epoxide hydrolase 2 | Rattus norvegicus (Norway rat) | IC50 | 0.3700 | 1 | 1 |
| Bifunctional epoxide hydrolase 2 | Homo sapiens (human) | Ki | 45.9000 | 2 | 2 |
| Bifunctional purine biosynthesis protein ATIC | Homo sapiens (human) | IC50 | 25.0000 | 1 | 1 |
| bifunctional UDP-N-acetylglucosamine pyrophosphorylase/glucosamine-1-phosphate N-acetyltransferase | Mycobacterium tuberculosis H37Rv | IC50 | 84.9400 | 1 | 1 |
| Bile salt export pump | Homo sapiens (human) | IC50 | 316.3279 | 7 | 34 |
| Bile salt export pump | Rattus norvegicus (Norway rat) | IC50 | 1,000.0000 | 1 | 1 |
| Botulinum neurotoxin type A | Clostridium botulinum | IC50 | 11.4500 | 2 | 2 |
| Botulinum neurotoxin type A | Clostridium botulinum | Ki | 14.3000 | 1 | 1 |
| BRCA1-associated RING domain protein 1 | Homo sapiens (human) | IC50 | 3.8900 | 1 | 1 |
| Breakpoint cluster region protein | Homo sapiens (human) | IC50 | 19.0000 | 1 | 2 |
| Breast cancer type 1 susceptibility protein | Homo sapiens (human) | IC50 | 3.8900 | 1 | 1 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | Homo sapiens (human) | IC50 | 407.5558 | 12 | 35 |
| C-C chemokine receptor type 4 | Homo sapiens (human) | IC50 | 47.2409 | 3 | 6 |
| C-terminal-binding protein 2 | Homo sapiens (human) | IC50 | 300.0000 | 1 | 1 |
| C-X-C chemokine receptor type 1 | Homo sapiens (human) | IC50 | 35.3780 | 2 | 4 |
| Cadherin-1 | Homo sapiens (human) | Ki | 387.2000 | 1 | 1 |
| Calcium dependent protein kinase | Triticum aestivum (bread wheat) | IC50 | 19.0000 | 1 | 1 |
| Calcium-activated potassium channel subunit alpha-1 | Rattus norvegicus (Norway rat) | IC50 | 0.5600 | 1 | 1 |
| Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B | Rattus norvegicus (Norway rat) | IC50 | 172.5000 | 2 | 2 |
| Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C | Rattus norvegicus (Norway rat) | IC50 | 172.5000 | 2 | 2 |
| Calcium/calmodulin-dependent protein kinase type II subunit alpha | Homo sapiens (human) | Ki | 51.0488 | 1 | 4 |
| Calcium/calmodulin-dependent protein kinase type II subunit beta | Homo sapiens (human) | IC50 | 3.0000 | 1 | 1 |
| Calmodulin-1 | Homo sapiens (human) | IC50 | 22.8033 | 1 | 3 |
| cAMP-dependent protein kinase catalytic subunit alpha | Bos taurus (cattle) | IC50 | 0.6000 | 1 | 1 |
| cAMP-dependent protein kinase catalytic subunit alpha | Homo sapiens (human) | IC50 | 39.9000 | 3 | 9 |
| cAMP-dependent protein kinase catalytic subunit beta | Homo sapiens (human) | IC50 | 2.0500 | 2 | 2 |
| cAMP-dependent protein kinase catalytic subunit gamma | Homo sapiens (human) | IC50 | 2.0500 | 2 | 2 |
| cAMP-specific 3',5'-cyclic phosphodiesterase 4A | Homo sapiens (human) | IC50 | 747.0000 | 1 | 1 |
| cAMP-specific 3',5'-cyclic phosphodiesterase 4A | Rattus norvegicus (Norway rat) | IC50 | 6.5900 | 1 | 4 |
| cAMP-specific 3',5'-cyclic phosphodiesterase 4A | Homo sapiens (human) | Ki | 1.1150 | 1 | 1 |
| cAMP-specific 3',5'-cyclic phosphodiesterase 4B | Rattus norvegicus (Norway rat) | IC50 | 6.5900 | 1 | 4 |
| cAMP-specific 3',5'-cyclic phosphodiesterase 4B | Homo sapiens (human) | Ki | 1.1150 | 1 | 1 |
| cAMP-specific 3',5'-cyclic phosphodiesterase 4C | Rattus norvegicus (Norway rat) | IC50 | 6.5900 | 1 | 4 |
| cAMP-specific 3',5'-cyclic phosphodiesterase 4D | Homo sapiens (human) | IC50 | 0.8233 | 2 | 3 |
| cAMP-specific 3',5'-cyclic phosphodiesterase 4D | Homo sapiens (human) | Ki | 1.1150 | 1 | 1 |
| cAMP-specific 3',5'-cyclic phosphodiesterase 4D | Rattus norvegicus (Norway rat) | IC50 | 6.5900 | 1 | 4 |
| Canalicular multispecific organic anion transporter 1 | Homo sapiens (human) | IC50 | 114.5286 | 2 | 14 |
| Canalicular multispecific organic anion transporter 1 | Homo sapiens (human) | Ki | 548.5000 | 1 | 2 |
| Canalicular multispecific organic anion transporter 1 | Rattus norvegicus (Norway rat) | Ki | 3.5667 | 2 | 3 |
| Cannabinoid receptor 1 | Homo sapiens (human) | IC50 | 14.0835 | 2 | 2 |
| Cannabinoid receptor 1 | Mus musculus (house mouse) | IC50 | 1,000.0000 | 1 | 2 |
| Cannabinoid receptor 1 | Homo sapiens (human) | Ki | 12.6673 | 9 | 11 |
| Cannabinoid receptor 1 | Rattus norvegicus (Norway rat) | Ki | 2.4542 | 5 | 5 |
| Cannabinoid receptor 2 | Mus musculus (house mouse) | IC50 | 100.0000 | 1 | 2 |
| Cannabinoid receptor 2 | Homo sapiens (human) | IC50 | 3.4600 | 1 | 1 |
| Cannabinoid receptor 2 | Homo sapiens (human) | Ki | 42.5145 | 8 | 10 |
| Carbonic anhydrase | Candida albicans SC5314 | Ki | 8.8400 | 2 | 3 |
| Carbonic anhydrase | Dicentrarchus labrax (European seabass) | Ki | 65.3271 | 1 | 7 |
| Carbonic anhydrase | Flaveria bidentis | Ki | 77.5000 | 1 | 1 |
| Carbonic anhydrase | Cryptococcus neoformans var. grubii | Ki | 0.9900 | 1 | 2 |
| Carbonic anhydrase | Mycobacterium tuberculosis H37Rv | Ki | 11.7500 | 1 | 2 |
| Carbonic anhydrase 1 | Homo sapiens (human) | IC50 | 19,927.6317 | 3 | 6 |
| Carbonic anhydrase 1 | Homo sapiens (human) | Ki | 357.6225 | 35 | 156 |
| Carbonic anhydrase 12 | Homo sapiens (human) | Ki | 152.4478 | 20 | 93 |
| Carbonic anhydrase 13 | Homo sapiens (human) | Ki | 156.2037 | 3 | 8 |
| Carbonic anhydrase 13 | Mus musculus (house mouse) | Ki | 225.1446 | 6 | 54 |
| Carbonic anhydrase 14 | Homo sapiens (human) | Ki | 196.0628 | 9 | 63 |
| Carbonic anhydrase 15 | Mus musculus (house mouse) | Ki | 12.7217 | 4 | 6 |
| Carbonic anhydrase 2 | Homo sapiens (human) | IC50 | 17,098.8900 | 4 | 7 |
| Carbonic anhydrase 2 | Mycobacterium tuberculosis H37Rv | IC50 | 2.3000 | 1 | 1 |
| Carbonic anhydrase 2 | Homo sapiens (human) | Ki | 200.5418 | 37 | 157 |
| Carbonic anhydrase 2 | Mycobacterium tuberculosis H37Rv | Ki | 2.6967 | 1 | 6 |
| Carbonic anhydrase 3 | Bos taurus (cattle) | IC50 | 5.7900 | 1 | 1 |
| Carbonic anhydrase 3 | Bos taurus (cattle) | Ki | 206.3495 | 3 | 20 |
| Carbonic anhydrase 3 | Homo sapiens (human) | Ki | 254.8174 | 7 | 54 |
| Carbonic anhydrase 4 | Homo sapiens (human) | Ki | 212.5914 | 16 | 105 |
| Carbonic anhydrase 5A, mitochondrial | Homo sapiens (human) | IC50 | 8.8600 | 1 | 1 |
| Carbonic anhydrase 5A, mitochondrial | Homo sapiens (human) | Ki | 362.5652 | 8 | 55 |
| Carbonic anhydrase 5B, mitochondrial | Homo sapiens (human) | Ki | 232.5489 | 7 | 54 |
| Carbonic anhydrase 6 | Homo sapiens (human) | IC50 | 5.7900 | 1 | 1 |
| Carbonic anhydrase 6 | Homo sapiens (human) | Ki | 279.5394 | 13 | 81 |
| Carbonic anhydrase 7 | Homo sapiens (human) | Ki | 195.4812 | 10 | 79 |
| Carbonic anhydrase 9 | Homo sapiens (human) | IC50 | 9.3900 | 1 | 1 |
| Carbonic anhydrase 9 | Homo sapiens (human) | Ki | 1,963.1487 | 21 | 84 |
| Carbonyl reductase [NADPH] 1 | Homo sapiens (human) | IC50 | 11.6200 | 1 | 3 |
| Carbonyl reductase [NADPH] 1 | Homo sapiens (human) | Ki | 1.8567 | 1 | 3 |
| carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1 | Homo sapiens (human) | IC50 | 9.9330 | 1 | 1 |
| Carboxylic ester hydrolase | Equus caballus (horse) | IC50 | 306.4481 | 8 | 11 |
| Carboxylic ester hydrolase | Rattus norvegicus (Norway rat) | IC50 | 49.3075 | 4 | 4 |
| Carboxylic ester hydrolase | Equus caballus (horse) | Ki | 8.0000 | 1 | 1 |
| Carboxypeptidase A1 | Bos taurus (cattle) | IC50 | 2.7600 | 1 | 1 |
| Casein kinase II subunit alpha | Homo sapiens (human) | IC50 | 1.4855 | 14 | 29 |
| Casein kinase II subunit alpha | Homo sapiens (human) | Ki | 7.1800 | 6 | 15 |
| Casein kinase II subunit alpha | Zea mays | Ki | 20.9250 | 1 | 2 |
| Casein kinase II subunit alpha | Rattus norvegicus (Norway rat) | IC50 | 0.0400 | 1 | 1 |
| Casein kinase II subunit alpha 3 | Homo sapiens (human) | IC50 | 2.7375 | 2 | 8 |
| Casein kinase II subunit alpha 3 | Homo sapiens (human) | Ki | 3.5833 | 1 | 3 |
| Casein kinase II subunit alpha' | Homo sapiens (human) | IC50 | 1.6044 | 11 | 25 |
| Casein kinase II subunit alpha' | Homo sapiens (human) | Ki | 2.7300 | 2 | 4 |
| Casein kinase II subunit beta | Homo sapiens (human) | IC50 | 1.5241 | 13 | 27 |
| Casein kinase II subunit beta | Rattus norvegicus (Norway rat) | IC50 | 0.0400 | 1 | 1 |
| Casein kinase II subunit beta | Homo sapiens (human) | Ki | 2.7300 | 2 | 4 |
| Caspase-1 | Homo sapiens (human) | IC50 | 4.2567 | 1 | 3 |
| caspase-3 isoform a preproprotein | Homo sapiens (human) | IC50 | 4.3000 | 1 | 1 |
| caspase-9 isoform alpha precursor | Homo sapiens (human) | IC50 | 4.3000 | 1 | 1 |
| Catenin beta-1 | Homo sapiens (human) | IC50 | 5.2130 | 1 | 1 |
| Catenin beta-1 | Homo sapiens (human) | Ki | 4.8780 | 3 | 3 |
| Cathepsin B | Homo sapiens (human) | IC50 | 288.8000 | 1 | 1 |
| Cathepsin D | Homo sapiens (human) | IC50 | 138.0000 | 1 | 1 |
| Cathepsin G | Homo sapiens (human) | IC50 | 60.0000 | 1 | 1 |
| Cathepsin K | Homo sapiens (human) | IC50 | 15.0000 | 1 | 1 |
| cathepsin L1 | Homo sapiens (human) | IC50 | 59.6420 | 1 | 2 |
| Cationic amino acid transporter 3 | Homo sapiens (human) | IC50 | 158.0000 | 1 | 1 |
| Cationic trypsin | Bos taurus (cattle) | IC50 | 34.1875 | 2 | 8 |
| CDGSH iron-sulfur domain-containing protein 1 | Homo sapiens (human) | IC50 | 3.1000 | 1 | 1 |
| CDGSH iron-sulfur domain-containing protein 1 | Homo sapiens (human) | Ki | 0.1320 | 1 | 1 |
| CDK-activating kinase assembly factor MAT1 | Homo sapiens (human) | IC50 | 12.3000 | 1 | 1 |
| Cell division protein FtsZ | Escherichia coli K-12 | IC50 | 6.3350 | 2 | 2 |
| Ceramide glucosyltransferase | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| Ceramide glucosyltransferase | Mus musculus (house mouse) | IC50 | 10.0000 | 1 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | Rattus norvegicus (Norway rat) | IC50 | 81.3000 | 1 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase A | Homo sapiens (human) | IC50 | 2.4000 | 1 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase B | Homo sapiens (human) | IC50 | 2.4000 | 1 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | Homo sapiens (human) | IC50 | 1.7000 | 1 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | Rattus norvegicus (Norway rat) | IC50 | 6.1000 | 1 | 1 |
| Chain A, (3R)-hydroxymyristoyl-acyl carrier protein dehydratase | Helicobacter pylori | Ki | 6.8000 | 1 | 6 |
| Chain A, 3-phosphoshikimate 1-carboxyvinyltransferase | Escherichia coli | IC50 | 1,200.0000 | 1 | 4 |
| Chain A, Acetoacetate decarboxylase | Chromobacterium violaceum ATCC 12472 | Ki | 0.7000 | 1 | 1 |
| Chain A, ACETYLCHOLINESTERASE | Tetronarce californica (Pacific electric ray) | IC50 | 0.5060 | 1 | 2 |
| Chain A, Acetylcholinesterase | Tetronarce californica (Pacific electric ray) | Ki | 0.2500 | 1 | 1 |
| Chain A, Aldehyde Dehydrogenase, Mitochondrial | Homo sapiens (human) | IC50 | 0.0800 | 1 | 1 |
| Chain A, Alpha-mannosidase Ii | Drosophila melanogaster (fruit fly) | IC50 | 0.0200 | 1 | 3 |
| Chain A, AMINOPEPTIDASE | Streptomyces griseus | Ki | 12,550.0000 | 1 | 4 |
| Chain A, Anthranilate phosphoribosyltransferase | Mycobacterium tuberculosis | Ki | 119.0000 | 1 | 4 |
| Chain A, APH(2')-Id | Enterococcus casseliflavus | Ki | 25.1000 | 1 | 1 |
| Chain A, Casein kinase II subunit alpha | Zea mays | IC50 | 0.3500 | 1 | 3 |
| Chain A, Casein kinase II subunit alpha | Homo sapiens (human) | Ki | 0.0200 | 1 | 1 |
| Chain A, Casein kinase II, alpha chain | Zea mays | Ki | 1.8500 | 1 | 1 |
| Chain A, cGMP-specific 3',5'-cyclic phosphodiesterase | Homo sapiens (human) | IC50 | 1.7000 | 1 | 2 |
| Chain A, Chitinase | Clonostachys rosea | Ki | 19,700.0000 | 1 | 1 |
| Chain A, Diaminopimelate decarboxylase | Methanocaldococcus jannaschii | Ki | 89.0000 | 1 | 1 |
| Chain A, Estrogen receptor 1 (alpha) | Homo sapiens (human) | IC50 | 0.0090 | 1 | 1 |
| Chain A, Fatty acid-binding protein, adipocyte | Homo sapiens (human) | Ki | 0.8020 | 1 | 1 |
| Chain A, Glutamate [NMDA] receptor subunit zeta 1 | Rattus norvegicus (Norway rat) | Ki | 4.8000 | 1 | 3 |
| Chain A, Glycogen Phosphorylase | Oryctolagus cuniculus (rabbit) | Ki | 100.0000 | 1 | 1 |
| Chain A, Glycogen phosphorylase, muscle form | Oryctolagus cuniculus (rabbit) | Ki | 19.0100 | 1 | 2 |
| Chain A, Hyaluronidase, phage associated | Streptococcus pyogenes | IC50 | 1,000.0000 | 1 | 1 |
| Chain A, Leucine Aminopeptidase | Bos taurus (cattle) | Ki | 0.0600 | 1 | 1 |
| Chain A, Leukotriene A-4 hydrolase | Homo sapiens (human) | IC50 | 229.5000 | 1 | 34 |
| Chain A, meta-Cleavage product hydrolase | Pseudomonas fluorescens | Ki | 2,900.0000 | 1 | 1 |
| Chain A, Mitogen-activated protein kinase 14 | Homo sapiens (human) | IC50 | 292.0000 | 1 | 9 |
| Chain A, Mitogen-activated protein kinase 8 | Homo sapiens (human) | IC50 | 4.6000 | 1 | 1 |
| Chain A, ODORANT-BINDING PROTEIN | Sus scrofa (pig) | IC50 | 2.7333 | 1 | 15 |
| Chain A, Oxygen-insensitive Nad(p)h Nitroreductase | Enterobacter cloacae | Ki | 100.0000 | 1 | 1 |
| Chain A, Pancreatic alpha-amylase | Homo sapiens (human) | Ki | 110.0000 | 1 | 2 |
| Chain A, Penicillin Amidohydrolase | Escherichia coli | Ki | 2,978.5000 | 1 | 14 |
| Chain A, Phosphoenolpyruvate-protein phosphotransferase | Escherichia coli | Ki | 280.0000 | 1 | 1 |
| Chain A, Phosphonopyruvate hydrolase | Variovorax sp. Pal2 | Ki | 17.0000 | 1 | 1 |
| Chain A, POLYMERASE PA | Influenza A virus | IC50 | 1.9000 | 1 | 1 |
| Chain A, Polymerase Pa | Influenza A virus (A/California/04/2009(H1N1)) | IC50 | 1.9000 | 1 | 4 |
| Chain A, Porphobilinogen Synthase | Escherichia coli | IC50 | 111.4000 | 1 | 5 |
| Chain A, PROTEIN (5-AMINOLAEVULINIC ACID DEHYDRATASE) | Saccharomyces cerevisiae (brewer's yeast) | Ki | 2,000.0000 | 1 | 1 |
| Chain A, PROTEIN (TRYPSIN) | Bos taurus (cattle) | Ki | 1,580.0000 | 1 | 2 |
| Chain A, PROTEIN KINASE CK2, ALPHA SUBUNIT | Zea mays | IC50 | 1.0000 | 1 | 1 |
| Chain A, Proto-oncogene serine/threonine-protein kinase Pim-1 | Homo sapiens (human) | IC50 | 0.7800 | 1 | 4 |
| Chain A, Proto-oncogene Tyrosine-protein Kinase Src | Homo sapiens (human) | IC50 | 40,000.0000 | 1 | 26 |
| Chain A, PROTOCATECHUATE 3,4-DIOXYGENASE | Pseudomonas putida | Ki | 2,311.0000 | 1 | 24 |
| Chain A, Pyruvate kinase, M2 isozyme | Homo sapiens (human) | Ki | 24.0000 | 1 | 1 |
| Chain A, Ribulose-1,5 bisphosphate carboxylase/oxygenase large subunit N-methyltransferase, chloroplast | Pisum sativum (garden pea) | Ki | 36,600.0000 | 1 | 2 |
| Chain A, RNA-directed RNA polymerase NS5 | Dengue virus 2 16681-PDK53 | IC50 | 26.2100 | 1 | 2 |
| Chain A, Toluene-4-monooxygenase system protein A | Pseudomonas mendocina | Ki | 5.0000 | 1 | 1 |
| Chain B, (3R)-hydroxymyristoyl-acyl carrier protein dehydratase | Helicobacter pylori | Ki | 6.8000 | 1 | 6 |
| Chain B, Anthranilate phosphoribosyltransferase | Mycobacterium tuberculosis | Ki | 119.0000 | 1 | 1 |
| Chain B, Cell division protein kinase 6 | Homo sapiens (human) | IC50 | 0.8500 | 1 | 1 |
| Chain B, Diaminopimelate decarboxylase | Methanocaldococcus jannaschii | Ki | 89.0000 | 1 | 1 |
| Chain B, Odorant-binding Protein | Sus scrofa (pig) | IC50 | 2.7333 | 1 | 3 |
| Chain B, Oxygen-insensitive Nad(p)h Nitroreductase | Enterobacter cloacae | Ki | 100.0000 | 1 | 1 |
| Chain B, Penicillin Amidohydrolase | Escherichia coli | Ki | 2,978.5000 | 1 | 14 |
| Chain B, SARS CORONAVIRUS MAIN PROTEINASE | Severe acute respiratory syndrome-related coronavirus | IC50 | 5.0000 | 1 | 1 |
| Chain C, Anthranilate phosphoribosyltransferase | Mycobacterium tuberculosis | Ki | 119.0000 | 1 | 1 |
| Chain E, Fibrin beta chain | Homo sapiens (human) | IC50 | 46.3115 | 2 | 2 |
| Chain H, Igg2b-kappa 40-50 Fab (heavy Chain) | Mus musculus (house mouse) | Ki | 0.0028 | 1 | 1 |
| Chain L, Igg2b-kappa 40-50 Fab (light Chain) | Mus musculus (house mouse) | Ki | 0.0028 | 1 | 1 |
| Chain M, PROTOCATECHUATE 3,4-DIOXYGENASE | Pseudomonas putida | Ki | 2,311.0000 | 1 | 24 |
| Chain X, Dimeric dihydrodiol dehydrogenase | Macaca fascicularis (crab-eating macaque) | IC50 | 0.9700 | 1 | 1 |
| Chemotaxis protein CheA | Escherichia coli K-12 | IC50 | 111.0000 | 1 | 1 |
| Chitotriosidase-1 | Homo sapiens (human) | IC50 | 363.0000 | 1 | 2 |
| Cholesteryl ester transfer protein | Homo sapiens (human) | IC50 | 32.2467 | 3 | 3 |
| Choline O-acetyltransferase | Rattus norvegicus (Norway rat) | Ki | 40,000.0000 | 1 | 1 |
| Choline trimethylamine-lyase | Oleidesulfovibrio alaskensis G20 | IC50 | 26.0000 | 1 | 1 |
| Cholinesterase | Canis lupus familiaris (dog) | IC50 | 10,000.0000 | 1 | 1 |
| Cholinesterase | Equus caballus (horse) | IC50 | 51.7864 | 55 | 61 |
| Cholinesterase | Homo sapiens (human) | IC50 | 811.7780 | 42 | 48 |
| Cholinesterase | Equus caballus (horse) | Ki | 69.2333 | 3 | 3 |
| Cholinesterase | Homo sapiens (human) | Ki | 74.5780 | 8 | 22 |
| Chromaffin granule amine transporter | Homo sapiens (human) | IC50 | 0.0500 | 2 | 2 |
| Chymotrypsin-C | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| Chymotrypsin-like elastase family member 1 | Sus scrofa (pig) | IC50 | 28.7500 | 1 | 4 |
| Chymotrypsinogen A | Bos taurus (cattle) | IC50 | 332.7500 | 3 | 4 |
| Chymotrypsinogen B | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| Class A sortase SrtA | Staphylococcus aureus | IC50 | 31.7200 | 1 | 1 |
| CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1 | Homo sapiens (human) | IC50 | 74.4380 | 1 | 20 |
| Coagulation factor VII | Homo sapiens (human) | IC50 | 50.3333 | 1 | 3 |
| Coagulation factor X | Homo sapiens (human) | IC50 | 0.1700 | 1 | 1 |
| Coagulation factor X | Homo sapiens (human) | Ki | 0.5700 | 1 | 1 |
| Coagulation factor XII | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| Coagulation factor XII | Homo sapiens (human) | Ki | 80.8027 | 2 | 15 |
| Cocaine esterase | Homo sapiens (human) | IC50 | 1.9000 | 1 | 1 |
| Cocaine esterase | Homo sapiens (human) | Ki | 25.9472 | 3 | 4 |
| Coenzyme A biosynthesis bifunctional protein CoaBC | Mycobacterium tuberculosis H37Rv | IC50 | 30.1995 | 1 | 2 |
| Collagenase 3 | Homo sapiens (human) | IC50 | 9.2550 | 1 | 2 |
| Collagenase ColG | Hathewaya histolytica | IC50 | 24.0000 | 1 | 1 |
| Collagenase ColH | Hathewaya histolytica | IC50 | 0.0240 | 1 | 1 |
| Complex I intermediate-associated protein 30, mitochondrial | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| core protein, partial | | IC50 | 35.9843 | 3 | 4 |
| Corticosteroid 11-beta-dehydrogenase isozyme 1 | Homo sapiens (human) | IC50 | 0.2771 | 13 | 13 |
| Corticosteroid 11-beta-dehydrogenase isozyme 1 | Mus musculus (house mouse) | IC50 | 0.0472 | 9 | 10 |
| Corticosteroid 11-beta-dehydrogenase isozyme 1 | Rattus norvegicus (Norway rat) | IC50 | 0.0900 | 1 | 1 |
| Corticosteroid 11-beta-dehydrogenase isozyme 2 | Homo sapiens (human) | IC50 | 0.0650 | 8 | 8 |
| Corticosteroid 11-beta-dehydrogenase isozyme 2 | Mus musculus (house mouse) | IC50 | 500.0000 | 1 | 1 |
| Corticosteroid 11-beta-dehydrogenase isozyme 2 | Rattus norvegicus (Norway rat) | IC50 | 0.3600 | 2 | 2 |
| CPG DNA methylase | Spiroplasma monobiae | Ki | 0.0280 | 1 | 1 |
| CREB-binding protein | Homo sapiens (human) | IC50 | 50.0000 | 2 | 2 |
| Cruzipain | Trypanosoma cruzi | IC50 | 105.9700 | 8 | 10 |
| Cyclic GMP-AMP synthase | Homo sapiens (human) | IC50 | 0.0040 | 1 | 1 |
| Cyclin homolog | Herpesvirus saimiri (strain 11) | IC50 | 28.9715 | 1 | 20 |
| Cyclin-A1 | Homo sapiens (human) | IC50 | 3.3900 | 1 | 1 |
| Cyclin-A2 | Homo sapiens (human) | IC50 | 5.3500 | 5 | 5 |
| Cyclin-C | Homo sapiens (human) | IC50 | 5.9000 | 1 | 1 |
| Cyclin-dependent kinase 1 | Homo sapiens (human) | IC50 | 63.4525 | 5 | 12 |
| Cyclin-dependent kinase 1 | Oryzias latipes (Japanese medaka) | IC50 | 28.9715 | 1 | 20 |
| Cyclin-dependent kinase 2 | Homo sapiens (human) | IC50 | 14.3210 | 8 | 10 |
| Cyclin-dependent kinase 4 | Homo sapiens (human) | IC50 | 104.0300 | 2 | 3 |
| Cyclin-dependent kinase 5 activator 1 | Homo sapiens (human) | IC50 | 24.2675 | 4 | 28 |
| Cyclin-dependent kinase 6 | Homo sapiens (human) | IC50 | 37.3312 | 2 | 25 |
| Cyclin-dependent kinase 7 | Homo sapiens (human) | IC50 | 12.3000 | 1 | 1 |
| Cyclin-dependent kinase 8 | Homo sapiens (human) | IC50 | 5.9000 | 1 | 1 |
| Cyclin-dependent kinase 9 | Homo sapiens (human) | IC50 | 0.2383 | 7 | 7 |
| Cyclin-dependent-like kinase 5 | Homo sapiens (human) | IC50 | 24.2675 | 4 | 28 |
| Cyclin-H | Homo sapiens (human) | IC50 | 12.3000 | 1 | 1 |
| Cyclin-T1 | Homo sapiens (human) | IC50 | 0.2463 | 6 | 6 |
| Cystathionine beta-synthase | Homo sapiens (human) | IC50 | 18.8000 | 1 | 1 |
| Cystathionine gamma-lyase | Homo sapiens (human) | IC50 | 200.0000 | 1 | 1 |
| Cysteine protease ATG4B | Homo sapiens (human) | IC50 | 4.2500 | 2 | 2 |
| Cytochrome c oxidase subunit NDUFA4 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| Cytochrome P450 11B1, mitochondrial | Rattus norvegicus (Norway rat) | IC50 | 43.3333 | 1 | 3 |
| Cytochrome P450 1A1 | Homo sapiens (human) | IC50 | 10.2283 | 15 | 25 |
| Cytochrome P450 1A1 | Homo sapiens (human) | Ki | 0.9179 | 5 | 16 |
| Cytochrome P450 1A2 | Homo sapiens (human) | IC50 | 360.4639 | 13 | 30 |
| Cytochrome P450 1A2 | Homo sapiens (human) | Ki | 1.3675 | 3 | 4 |
| Cytochrome P450 1B1 | Homo sapiens (human) | IC50 | 8.6210 | 12 | 25 |
| Cytochrome P450 1B1 | Homo sapiens (human) | Ki | 1.0168 | 10 | 24 |
| Cytochrome P450 2A13 | Homo sapiens (human) | Ki | 29.3467 | 2 | 3 |
| Cytochrome P450 2A5 | Mus musculus (house mouse) | IC50 | 207.6772 | 2 | 9 |
| Cytochrome P450 2A6 | Homo sapiens (human) | IC50 | 2,178.9379 | 5 | 17 |
| Cytochrome P450 2A6 | Homo sapiens (human) | Ki | 18.5742 | 9 | 12 |
| Cytochrome P450 2B6 | Homo sapiens (human) | IC50 | 25.0000 | 1 | 1 |
| Cytochrome P450 2B6 | Homo sapiens (human) | Ki | 0.6900 | 1 | 1 |
| Cytochrome P450 2C11 | Rattus norvegicus (Norway rat) | Ki | 20.7000 | 1 | 1 |
| Cytochrome P450 2C19 | Homo sapiens (human) | IC50 | 9.8501 | 3 | 6 |
| Cytochrome P450 2C19 | Homo sapiens (human) | Ki | 0.7900 | 1 | 1 |
| Cytochrome P450 2C8 | Homo sapiens (human) | IC50 | 13.5000 | 2 | 2 |
| Cytochrome P450 2C9 | Homo sapiens (human) | IC50 | 10.1369 | 7 | 12 |
| Cytochrome P450 2C9 | Homo sapiens (human) | Ki | 11.9500 | 3 | 4 |
| Cytochrome P450 2D6 | Homo sapiens (human) | IC50 | 46.7556 | 9 | 18 |
| Cytochrome P450 2D6 | Homo sapiens (human) | Ki | 2.1850 | 2 | 2 |
| Cytochrome P450 3A4 | Homo sapiens (human) | IC50 | 48.6083 | 19 | 30 |
| Cytochrome P450 3A4 | Homo sapiens (human) | Ki | 6.3692 | 4 | 4 |
| Cytochrome P450 3A5 | Homo sapiens (human) | Ki | 0.1900 | 1 | 1 |
| Cytochrome P450 3A7 | Homo sapiens (human) | Ki | 12.3000 | 1 | 1 |
| Cytoplasmic tyrosine-protein kinase BMX | Homo sapiens (human) | IC50 | 67.9900 | 1 | 1 |
| Cytosol aminopeptidase | Sus scrofa (pig) | IC50 | 41.9500 | 1 | 2 |
| Cytosol aminopeptidase | Homo sapiens (human) | Ki | 50,000.0000 | 1 | 1 |
| Cytosolic beta-glucosidase | Homo sapiens (human) | IC50 | 160.0000 | 2 | 2 |
| Cytosolic phospholipase A2 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 2 |
| D | Rattus norvegicus (Norway rat) | IC50 | 2.4111 | 3 | 3 |
| D | Rattus norvegicus (Norway rat) | Ki | 2.9000 | 1 | 1 |
| D-amino-acid oxidase | Homo sapiens (human) | IC50 | 291.7112 | 5 | 8 |
| D-amino-acid oxidase | Sus scrofa (pig) | IC50 | 10.0000 | 1 | 1 |
| D-amino-acid oxidase | Homo sapiens (human) | Ki | 22.2800 | 5 | 5 |
| D-aspartate oxidase | Homo sapiens (human) | IC50 | 8,194.5000 | 2 | 4 |
| D(1A) dopamine receptor | Homo sapiens (human) | Ki | 0.7092 | 3 | 4 |
| D(1B) dopamine receptor | Homo sapiens (human) | Ki | 5.0310 | 2 | 2 |
| D(2) dopamine receptor | Rattus norvegicus (Norway rat) | IC50 | 14.0235 | 2 | 2 |
| D(2) dopamine receptor | Homo sapiens (human) | Ki | 0.1377 | 2 | 3 |
| D(2) dopamine receptor | Rattus norvegicus (Norway rat) | Ki | 1.5650 | 2 | 2 |
| D(3) dopamine receptor | Rattus norvegicus (Norway rat) | IC50 | 1,160.0000 | 1 | 1 |
| D(3) dopamine receptor | Homo sapiens (human) | Ki | 0.8370 | 2 | 2 |
| D(4) dopamine receptor | Homo sapiens (human) | Ki | 4.1660 | 2 | 2 |
| dCTP pyrophosphatase 1 | Homo sapiens (human) | IC50 | 30.9000 | 4 | 4 |
| dCTP pyrophosphatase 1 | Homo sapiens (human) | Ki | 168.0000 | 1 | 1 |
| Death-associated protein kinase 1 | Homo sapiens (human) | IC50 | 118.7900 | 1 | 10 |
| Delta-aminolevulinic acid dehydratase | Escherichia coli K-12 | Ki | 2,200.0000 | 1 | 1 |
| Delta-type opioid receptor | Homo sapiens (human) | IC50 | 0.1199 | 5 | 5 |
| Delta-type opioid receptor | Mus musculus (house mouse) | IC50 | 3.7840 | 11 | 17 |
| Delta-type opioid receptor | Rattus norvegicus (Norway rat) | IC50 | 0.2278 | 11 | 16 |
| Delta-type opioid receptor | Homo sapiens (human) | Ki | 2.3486 | 33 | 42 |
| Delta-type opioid receptor | Mus musculus (house mouse) | Ki | 0.4400 | 1 | 1 |
| Delta-type opioid receptor | Rattus norvegicus (Norway rat) | Ki | 0.1656 | 14 | 16 |
| Delta-type opioid receptor | Sus scrofa (pig) | Ki | 0.0365 | 1 | 1 |
| Deoxyhypusine hydroxylase | Homo sapiens (human) | IC50 | 5.0000 | 1 | 1 |
| Deoxyhypusine synthase | Rattus norvegicus (Norway rat) | IC50 | 41.0000 | 1 | 1 |
| Deoxyribonuclease-1 | Bos taurus (cattle) | IC50 | 300.0000 | 1 | 1 |
| Deoxyribonuclease-2-alpha | Sus scrofa (pig) | IC50 | 300.0000 | 1 | 1 |
| Diacylglycerol kinase alpha | Homo sapiens (human) | Ki | 91.0000 | 1 | 1 |
| Diacylglycerol lipase-alpha | Homo sapiens (human) | IC50 | 100.0000 | 1 | 2 |
| Dihydrofolate reductase | Homo sapiens (human) | IC50 | 6,500.0000 | 1 | 1 |
| Dihydrofolate reductase | Homo sapiens (human) | Ki | 2,800.0000 | 1 | 1 |
| Dihydroorotate dehydrogenase | Leishmania major | IC50 | 449.2968 | 1 | 30 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | Homo sapiens (human) | IC50 | 0.8800 | 1 | 1 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | Homo sapiens (human) | Ki | 0.7100 | 1 | 1 |
| Dipeptidyl peptidase 3 | Homo sapiens (human) | IC50 | 48.1429 | 1 | 7 |
| Dipeptidyl peptidase 4 | Homo sapiens (human) | IC50 | 54.3377 | 2 | 13 |
| Dipeptidyl peptidase 4 | Rattus norvegicus (Norway rat) | IC50 | 38.5000 | 1 | 2 |
| Dipeptidyl peptidase 4 | Sus scrofa (pig) | IC50 | 0.4900 | 1 | 1 |
| Disintegrin and metalloproteinase domain-containing protein 17 | Homo sapiens (human) | IC50 | 110.5000 | 1 | 2 |
| DNA (cytosine-5)-methyltransferase 1 | Homo sapiens (human) | IC50 | 15.2500 | 1 | 2 |
| DNA (cytosine-5)-methyltransferase 3-like | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| DNA (cytosine-5)-methyltransferase 3A | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| DNA damage-inducible transcript 3 protein | Mus musculus (house mouse) | IC50 | 6.3050 | 1 | 2 |
| DNA dC->dU-editing enzyme APOBEC-3A isoform a | Homo sapiens (human) | IC50 | 17.5000 | 1 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G isoform 1 | Homo sapiens (human) | IC50 | 6.0540 | 2 | 5 |
| DNA ligase | Tequatrovirus T4 | IC50 | 300.0000 | 1 | 1 |
| DNA polymerase alpha catalytic subunit | Homo sapiens (human) | IC50 | 3.3000 | 1 | 1 |
| DNA polymerase beta | Homo sapiens (human) | IC50 | 55.0307 | 7 | 15 |
| DNA polymerase beta | Rattus norvegicus (Norway rat) | IC50 | 7.5000 | 4 | 6 |
| DNA polymerase eta | Homo sapiens (human) | IC50 | 0.0620 | 1 | 1 |
| DNA polymerase iota | Homo sapiens (human) | IC50 | 0.0620 | 1 | 1 |
| DNA primase | Mycobacterium tuberculosis CDC1551 | IC50 | 100.0000 | 1 | 1 |
| DNA primase TraC | Escherichia coli | IC50 | 700.0000 | 1 | 1 |
| DNA repair protein RAD52 homolog | Homo sapiens (human) | IC50 | 2.8639 | 5 | 12 |
| DNA topoisomerase | Bos taurus (cattle) | IC50 | 17.0000 | 1 | 1 |
| DNA topoisomerase 1 | Chlorocebus aethiops (grivet) | IC50 | 27.0000 | 1 | 1 |
| DNA topoisomerase 1 | Homo sapiens (human) | IC50 | 91.3325 | 23 | 32 |
| DNA topoisomerase 1 | Mus musculus (house mouse) | IC50 | 26.0000 | 2 | 2 |
| DNA topoisomerase 1 | Rattus norvegicus (Norway rat) | IC50 | 2.8300 | 2 | 2 |
| DNA topoisomerase 2-alpha | Homo sapiens (human) | IC50 | 215.5800 | 6 | 15 |
| DNA-(apurinic or apyrimidinic site) endonuclease | Homo sapiens (human) | IC50 | 0.3200 | 2 | 2 |
| DNA-dependent protein kinase catalytic subunit | Homo sapiens (human) | IC50 | 5,750.0000 | 2 | 2 |
| Dual specificity mitogen-activated protein kinase kinase 1 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| Dual specificity mitogen-activated protein kinase kinase 4 | Homo sapiens (human) | IC50 | 0.4000 | 1 | 1 |
| Dual specificity protein phosphatase 1 | Mus musculus (house mouse) | IC50 | 9.3700 | 1 | 1 |
| dual specificity protein phosphatase 3 | Homo sapiens (human) | IC50 | 26.9025 | 4 | 4 |
| Dual specificity protein phosphatase 6 | Rattus norvegicus (Norway rat) | IC50 | 23.2000 | 2 | 2 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Homo sapiens (human) | IC50 | 7.4992 | 7 | 9 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Rattus norvegicus (Norway rat) | IC50 | 0.3300 | 1 | 1 |
| E-selectin | Homo sapiens (human) | IC50 | 500.0000 | 1 | 1 |
| E3 ubiquitin-protein ligase Mdm2 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| E3 ubiquitin-protein ligase Mdm2 isoform a | Homo sapiens (human) | IC50 | 3.5800 | 1 | 1 |
| E3 ubiquitin-protein ligase TRIM33 | Homo sapiens (human) | IC50 | 0.3125 | 1 | 2 |
| E3 ubiquitin-protein ligase XIAP | Homo sapiens (human) | IC50 | 48.7500 | 5 | 6 |
| E3 ubiquitin-protein ligase XIAP | Homo sapiens (human) | Ki | 0.4000 | 1 | 1 |
| Ecdysone receptor | Drosophila melanogaster (fruit fly) | IC50 | 0.0457 | 2 | 2 |
| Ecdysone receptor | Lucilia cuprina (Australian sheep blowfly) | IC50 | 5.5000 | 1 | 1 |
| Ectonucleoside triphosphate diphosphohydrolase 1 | Mus musculus (house mouse) | IC50 | 1.0300 | 1 | 2 |
| ELAV-like protein 1 | Homo sapiens (human) | IC50 | 1.4000 | 1 | 1 |
| ELAV-like protein 3 | Homo sapiens (human) | IC50 | 1.1333 | 1 | 3 |
| Endochitinase B1 | Aspergillus fumigatus | IC50 | 363.0000 | 1 | 2 |
| Endothelial PAS domain-containing protein 1 | Homo sapiens (human) | IC50 | 0.0965 | 2 | 2 |
| Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | Escherichia coli K-12 | IC50 | 34.0000 | 2 | 5 |
| Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | Escherichia coli K-12 | Ki | 7.0500 | 1 | 1 |
| Enoyl-acyl-carrier protein reductase | Plasmodium falciparum (malaria parasite P. falciparum) | IC50 | 64.8233 | 4 | 15 |
| Enoyl-acyl-carrier protein reductase | Plasmodium falciparum (malaria parasite P. falciparum) | Ki | 1.4007 | 4 | 13 |
| Ephrin type-B receptor 4 | Homo sapiens (human) | IC50 | 1.8300 | 1 | 1 |
| Epidermal growth factor receptor | Homo sapiens (human) | IC50 | 899.3716 | 19 | 33 |
| Epidermal growth factor receptor | Homo sapiens (human) | Ki | 1,000.0000 | 2 | 2 |
| Epoxide hydrolase 1 | Homo sapiens (human) | IC50 | 7.0000 | 1 | 1 |
| Epoxide hydrolase B | Mycobacterium tuberculosis CDC1551 | IC50 | 0.0190 | 2 | 2 |
| Equilibrative nucleoside transporter 1 | Homo sapiens (human) | Ki | 1,000.0000 | 1 | 1 |
| Estrogen receptor | Homo sapiens (human) | IC50 | 28.6505 | 28 | 41 |
| Estrogen receptor | Homo sapiens (human) | Ki | 0.6285 | 4 | 8 |
| Estrogen receptor 1 | Homo sapiens (human) | IC50 | 22.1937 | 1 | 1 |
| Estrogen receptor beta | Homo sapiens (human) | IC50 | 2.0714 | 25 | 42 |
| Estrogen receptor beta | Homo sapiens (human) | Ki | 0.5029 | 2 | 5 |
| eukaryotic translation initiation factor 4 gamma 1 isoform 4 | Homo sapiens (human) | IC50 | 47.6714 | 1 | 1 |
| eukaryotic translation initiation factor 4E isoform 1 | Mus musculus (house mouse) | IC50 | 47.6714 | 1 | 1 |
| Exportin-1 | Homo sapiens (human) | IC50 | 25.0000 | 1 | 1 |
| Eyes absent homolog 2 | Homo sapiens (human) | IC50 | 8,200.0000 | 1 | 1 |
| Farnesyl pyrophosphate synthase | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| Fatty acid synthase | Gallus gallus (chicken) | IC50 | 61.2562 | 5 | 8 |
| Fatty acid synthase | Homo sapiens (human) | IC50 | 158.8937 | 3 | 8 |
| Fatty acid-binding protein 5 | Homo sapiens (human) | IC50 | 1.2000 | 1 | 1 |
| Fatty acid-binding protein 5 | Homo sapiens (human) | Ki | 1.5462 | 2 | 8 |
| Fatty acid-binding protein, adipocyte | Homo sapiens (human) | IC50 | 11.8660 | 4 | 5 |
| Fatty acid-binding protein, adipocyte | Homo sapiens (human) | Ki | 2.2052 | 2 | 4 |
| Fatty acid-binding protein, heart | Homo sapiens (human) | IC50 | 0.8418 | 4 | 4 |
| Fatty acid-binding protein, heart | Homo sapiens (human) | Ki | 9.3000 | 1 | 1 |
| Fatty acid-binding protein, intestinal | Homo sapiens (human) | IC50 | 1.7000 | 1 | 1 |
| Fatty acid-binding protein, liver | Mus musculus (house mouse) | Ki | 0.1670 | 1 | 1 |
| Fatty acid-binding protein, liver | Rattus norvegicus (Norway rat) | Ki | 1.5400 | 2 | 2 |
| Fatty-acid amide hydrolase 1 | Homo sapiens (human) | IC50 | 284.0000 | 2 | 2 |
| Fatty-acid amide hydrolase 1 | Rattus norvegicus (Norway rat) | IC50 | 61.3000 | 1 | 1 |
| Fatty-acid amide hydrolase 1 | Homo sapiens (human) | Ki | 6.0000 | 1 | 1 |
| Female germline-specific tumor suppressor gld-1 | Caenorhabditis elegans | IC50 | 6.6880 | 1 | 1 |
| Focal adhesion kinase 1 | Homo sapiens (human) | IC50 | 2.1550 | 2 | 2 |
| Fructose-1,6-bisphosphatase 1 | Homo sapiens (human) | IC50 | 18.4250 | 2 | 4 |
| G protein-coupled receptor kinase 6 | Homo sapiens (human) | IC50 | 8.7000 | 1 | 1 |
| G-protein coupled receptor 35 | Homo sapiens (human) | IC50 | 12.8840 | 1 | 5 |
| G-protein coupled receptor 55 | Homo sapiens (human) | IC50 | 2.6423 | 1 | 1 |
| G-protein coupled receptor 84 | Homo sapiens (human) | Ki | 1.4759 | 1 | 4 |
| G1/S-specific cyclin-D1 | Homo sapiens (human) | IC50 | 104.0300 | 2 | 3 |
| G2/mitotic-specific cyclin-B | Marthasterias glacialis (spiny starfish) | IC50 | 28.9715 | 1 | 20 |
| G2/mitotic-specific cyclin-B1 | Homo sapiens (human) | IC50 | 56.0980 | 3 | 10 |
| G2/mitotic-specific cyclin-B2 | Homo sapiens (human) | IC50 | 26.0180 | 1 | 5 |
| G2/mitotic-specific cyclin-B3 | Homo sapiens (human) | IC50 | 26.0180 | 1 | 5 |
| GABA theta subunit | Rattus norvegicus (Norway rat) | IC50 | 9.2977 | 4 | 4 |
| GABA theta subunit | Rattus norvegicus (Norway rat) | Ki | 22.6671 | 3 | 5 |
| Gag-Pol polyprotein | HIV-1 M:B_HXB2R | IC50 | 79.0000 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-1 | Bos taurus (cattle) | IC50 | 22.0000 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-1 | Homo sapiens (human) | IC50 | 93,992.4342 | 3 | 3 |
| Gamma-aminobutyric acid receptor subunit alpha-1 | Rattus norvegicus (Norway rat) | IC50 | 9.2977 | 4 | 4 |
| Gamma-aminobutyric acid receptor subunit alpha-1 | Bos taurus (cattle) | Ki | 0.0130 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-1 | Homo sapiens (human) | Ki | 12.7603 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit alpha-1 | Rattus norvegicus (Norway rat) | Ki | 22.6671 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit alpha-2 | Bos taurus (cattle) | IC50 | 22.0000 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-2 | Homo sapiens (human) | IC50 | 69.6513 | 2 | 2 |
| Gamma-aminobutyric acid receptor subunit alpha-2 | Rattus norvegicus (Norway rat) | IC50 | 9.2977 | 4 | 4 |
| Gamma-aminobutyric acid receptor subunit alpha-2 | Homo sapiens (human) | Ki | 12.7603 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit alpha-2 | Rattus norvegicus (Norway rat) | Ki | 22.6671 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit alpha-3 | Bos taurus (cattle) | IC50 | 22.0000 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-3 | Homo sapiens (human) | IC50 | 69.6513 | 2 | 2 |
| Gamma-aminobutyric acid receptor subunit alpha-3 | Rattus norvegicus (Norway rat) | IC50 | 9.2977 | 4 | 4 |
| Gamma-aminobutyric acid receptor subunit alpha-3 | Homo sapiens (human) | Ki | 12.7603 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit alpha-3 | Rattus norvegicus (Norway rat) | Ki | 22.6671 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit alpha-4 | Bos taurus (cattle) | IC50 | 22.0000 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-4 | Homo sapiens (human) | IC50 | 69.6513 | 2 | 2 |
| Gamma-aminobutyric acid receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | IC50 | 9.2977 | 4 | 4 |
| Gamma-aminobutyric acid receptor subunit alpha-4 | Homo sapiens (human) | Ki | 12.7603 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | Ki | 22.6671 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit alpha-5 | Homo sapiens (human) | IC50 | 69.6513 | 2 | 2 |
| Gamma-aminobutyric acid receptor subunit alpha-5 | Rattus norvegicus (Norway rat) | IC50 | 9.2977 | 4 | 4 |
| Gamma-aminobutyric acid receptor subunit alpha-5 | Homo sapiens (human) | Ki | 12.7603 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit alpha-5 | Rattus norvegicus (Norway rat) | Ki | 22.6671 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit alpha-6 | Homo sapiens (human) | IC50 | 69.6513 | 2 | 2 |
| Gamma-aminobutyric acid receptor subunit alpha-6 | Rattus norvegicus (Norway rat) | IC50 | 9.2977 | 4 | 4 |
| Gamma-aminobutyric acid receptor subunit alpha-6 | Homo sapiens (human) | Ki | 12.7603 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit alpha-6 | Rattus norvegicus (Norway rat) | Ki | 22.6671 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit beta-1 | Bos taurus (cattle) | IC50 | 22.0000 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit beta-1 | Homo sapiens (human) | IC50 | 69.6513 | 2 | 2 |
| Gamma-aminobutyric acid receptor subunit beta-1 | Rattus norvegicus (Norway rat) | IC50 | 9.2977 | 4 | 4 |
| Gamma-aminobutyric acid receptor subunit beta-1 | Bos taurus (cattle) | Ki | 0.0130 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit beta-1 | Homo sapiens (human) | Ki | 12.7603 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit beta-1 | Rattus norvegicus (Norway rat) | Ki | 22.6671 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit beta-2 | Homo sapiens (human) | IC50 | 93,992.4342 | 3 | 3 |
| Gamma-aminobutyric acid receptor subunit beta-2 | Rattus norvegicus (Norway rat) | IC50 | 9.2977 | 4 | 4 |
| Gamma-aminobutyric acid receptor subunit beta-2 | Homo sapiens (human) | Ki | 12.7603 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit beta-2 | Rattus norvegicus (Norway rat) | Ki | 22.6671 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit beta-3 | Homo sapiens (human) | IC50 | 69.6513 | 2 | 2 |
| Gamma-aminobutyric acid receptor subunit beta-3 | Rattus norvegicus (Norway rat) | IC50 | 9.2977 | 4 | 4 |
| Gamma-aminobutyric acid receptor subunit beta-3 | Homo sapiens (human) | Ki | 12.7603 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit beta-3 | Rattus norvegicus (Norway rat) | Ki | 22.6671 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit delta | Homo sapiens (human) | IC50 | 69.6513 | 2 | 2 |
| Gamma-aminobutyric acid receptor subunit delta | Rattus norvegicus (Norway rat) | IC50 | 9.2977 | 4 | 4 |
| Gamma-aminobutyric acid receptor subunit delta | Homo sapiens (human) | Ki | 12.7603 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit delta | Rattus norvegicus (Norway rat) | Ki | 22.6671 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit epsilon | Homo sapiens (human) | IC50 | 69.6513 | 2 | 2 |
| Gamma-aminobutyric acid receptor subunit epsilon | Rattus norvegicus (Norway rat) | IC50 | 9.2977 | 4 | 4 |
| Gamma-aminobutyric acid receptor subunit epsilon | Homo sapiens (human) | Ki | 12.7603 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit epsilon | Rattus norvegicus (Norway rat) | Ki | 22.6671 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit gamma-1 | Homo sapiens (human) | IC50 | 69.6513 | 2 | 2 |
| Gamma-aminobutyric acid receptor subunit gamma-1 | Rattus norvegicus (Norway rat) | IC50 | 9.2977 | 4 | 4 |
| Gamma-aminobutyric acid receptor subunit gamma-1 | Homo sapiens (human) | Ki | 12.7603 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit gamma-1 | Rattus norvegicus (Norway rat) | Ki | 22.6671 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit gamma-2 | Bos taurus (cattle) | IC50 | 22.0000 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit gamma-2 | Homo sapiens (human) | IC50 | 93,992.4342 | 3 | 3 |
| Gamma-aminobutyric acid receptor subunit gamma-2 | Rattus norvegicus (Norway rat) | IC50 | 9.2977 | 4 | 4 |
| Gamma-aminobutyric acid receptor subunit gamma-2 | Homo sapiens (human) | Ki | 12.7603 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit gamma-2 | Rattus norvegicus (Norway rat) | Ki | 22.6671 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit gamma-3 | Homo sapiens (human) | IC50 | 69.6513 | 2 | 2 |
| Gamma-aminobutyric acid receptor subunit gamma-3 | Rattus norvegicus (Norway rat) | IC50 | 9.2977 | 4 | 4 |
| Gamma-aminobutyric acid receptor subunit gamma-3 | Homo sapiens (human) | Ki | 12.7603 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit gamma-3 | Rattus norvegicus (Norway rat) | Ki | 22.6671 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit pi | Homo sapiens (human) | IC50 | 69.6513 | 2 | 2 |
| Gamma-aminobutyric acid receptor subunit pi | Rattus norvegicus (Norway rat) | IC50 | 9.2977 | 4 | 4 |
| Gamma-aminobutyric acid receptor subunit pi | Homo sapiens (human) | Ki | 12.7603 | 3 | 7 |
| Gamma-aminobutyric acid receptor subunit pi | Rattus norvegicus (Norway rat) | Ki | 22.6671 | 3 | 5 |
| Gamma-aminobutyric acid receptor subunit rho-1 | Homo sapiens (human) | IC50 | 12.9000 | 1 | 1 |
| Gamma-aminobutyric acid receptor subunit theta | Homo sapiens (human) | IC50 | 69.6513 | 2 | 2 |
| Gamma-aminobutyric acid receptor subunit theta | Homo sapiens (human) | Ki | 12.7603 | 3 | 7 |
| Genome polyprotein | Coxsackievirus B3 (strain Nancy) | IC50 | 1.1000 | 1 | 1 |
| Genome polyprotein | Dengue virus 2 Puerto Rico/PR159-S1/1969 | IC50 | 48.3350 | 2 | 2 |
| Genome polyprotein | Hepatitis C virus (isolate BK) | IC50 | 36.6000 | 1 | 1 |
| Genome polyprotein | West Nile virus | IC50 | 96.0000 | 1 | 1 |
| Genome polyprotein | Dengue virus 2 Thailand/16681/84 | Ki | 345.0000 | 1 | 1 |
| Genome polyprotein | | IC50 | 1.6000 | 1 | 1 |
| Genome polyprotein | Human rhinovirus sp. | IC50 | 88.0000 | 1 | 2 |
| Genome polyprotein | Zika virus | IC50 | 62.3833 | 2 | 6 |
| Genome polyprotein | Zika virus | Ki | 0.8000 | 1 | 1 |
| Ghrelin O-acyltransferase | Homo sapiens (human) | IC50 | 550.0000 | 2 | 2 |
| Glucocorticoid receptor | Homo sapiens (human) | IC50 | 36.3380 | 3 | 3 |
| Glucose transporter | Leishmania mexicana | IC50 | 0.0810 | 1 | 1 |
| Glucose-6-phosphate 1-dehydrogenase | Saccharomyces cerevisiae S288C | IC50 | 333.4933 | 1 | 3 |
| glucose-6-phosphate 1-dehydrogenase isoform b | Homo sapiens (human) | IC50 | 73.2500 | 1 | 2 |
| glucose-6-phosphate dehydrogenase | Leuconostoc mesenteroides | IC50 | 25.0000 | 1 | 1 |
| glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | Plasmodium berghei | IC50 | 35.4400 | 3 | 6 |
| Glutamate receptor 1 | Homo sapiens (human) | Ki | 790.0000 | 1 | 1 |
| Glutamate receptor 2 | Homo sapiens (human) | Ki | 790.0000 | 1 | 1 |
| Glutamate receptor 3 | Homo sapiens (human) | Ki | 790.0000 | 1 | 1 |
| Glutamate receptor 4 | Homo sapiens (human) | Ki | 790.0000 | 1 | 1 |
| Glutamate receptor ionotropic, kainate 3 | Rattus norvegicus (Norway rat) | Ki | 790.0000 | 1 | 1 |
| Glutamate receptor ionotropic, NMDA 1 | Rattus norvegicus (Norway rat) | IC50 | 0.0400 | 1 | 1 |
| Glutamate receptor ionotropic, NMDA 1 | Rattus norvegicus (Norway rat) | Ki | 10.0000 | 1 | 1 |
| Glutamate receptor ionotropic, NMDA 2A | Rattus norvegicus (Norway rat) | IC50 | 0.0400 | 1 | 1 |
| Glutamate receptor ionotropic, NMDA 2A | Rattus norvegicus (Norway rat) | Ki | 10.0000 | 1 | 1 |
| Glutamate receptor ionotropic, NMDA 2B | Rattus norvegicus (Norway rat) | IC50 | 0.0400 | 1 | 1 |
| Glutamate receptor ionotropic, NMDA 2B | Rattus norvegicus (Norway rat) | Ki | 10.0000 | 1 | 1 |
| Glutamate receptor ionotropic, NMDA 2C | Rattus norvegicus (Norway rat) | IC50 | 0.0400 | 1 | 1 |
| Glutamate receptor ionotropic, NMDA 2C | Rattus norvegicus (Norway rat) | Ki | 10.0000 | 1 | 1 |
| Glutamate receptor ionotropic, NMDA 2D | Rattus norvegicus (Norway rat) | IC50 | 0.0400 | 1 | 1 |
| Glutamate receptor ionotropic, NMDA 2D | Rattus norvegicus (Norway rat) | Ki | 10.0000 | 1 | 1 |
| Glutamate receptor ionotropic, NMDA 3A | Rattus norvegicus (Norway rat) | IC50 | 0.0400 | 1 | 1 |
| Glutamate receptor ionotropic, NMDA 3A | Rattus norvegicus (Norway rat) | Ki | 10.0000 | 1 | 1 |
| Glutamate receptor ionotropic, NMDA 3B | Rattus norvegicus (Norway rat) | IC50 | 0.0400 | 1 | 1 |
| Glutamate receptor ionotropic, NMDA 3B | Rattus norvegicus (Norway rat) | Ki | 10.0000 | 1 | 1 |
| Glutaminyl-peptide cyclotransferase | Homo sapiens (human) | IC50 | 5.0000 | 1 | 1 |
| Glutathione reductase | Saccharomyces cerevisiae S288C | IC50 | 48.8000 | 1 | 1 |
| Glutathione reductase, mitochondrial | Homo sapiens (human) | IC50 | 100.6667 | 3 | 3 |
| Glutathione reductase, mitochondrial | Homo sapiens (human) | Ki | 54.6000 | 1 | 1 |
| Glutathione S-transferase | Plasmodium falciparum 3D7 | IC50 | 74.4000 | 1 | 1 |
| Glutathione S-transferase Mu 1 | Mus musculus (house mouse) | IC50 | 100.0000 | 1 | 1 |
| Glutathione S-transferase omega-1 | Homo sapiens (human) | IC50 | 62.0000 | 1 | 1 |
| Glutathione S-transferase P | Homo sapiens (human) | IC50 | 42.5333 | 3 | 3 |
| Glyceraldehyde-3-phosphate dehydrogenase | Homo sapiens (human) | IC50 | 1,641.3665 | 2 | 4 |
| Glyceraldehyde-3-phosphate dehydrogenase, glycosomal | Trypanosoma cruzi | IC50 | 288.2350 | 1 | 6 |
| Glycine receptor subunit alpha-2 | Rattus norvegicus (Norway rat) | IC50 | 59.8500 | 1 | 2 |
| Glycogen debranching enzyme | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| Glycogen debranching enzyme | Oryctolagus cuniculus (rabbit) | IC50 | 0.1900 | 1 | 1 |
| Glycogen phosphorylase, liver form | Homo sapiens (human) | IC50 | 4.8000 | 1 | 1 |
| Glycogen phosphorylase, liver form | Rattus norvegicus (Norway rat) | IC50 | 373.5000 | 1 | 2 |
| Glycogen phosphorylase, muscle form | Oryctolagus cuniculus (rabbit) | IC50 | 103.2522 | 14 | 36 |
| Glycogen phosphorylase, muscle form | Rattus norvegicus (Norway rat) | IC50 | 182.0000 | 1 | 1 |
| Glycogen synthase kinase-3 alpha | Homo sapiens (human) | IC50 | 2.8040 | 1 | 5 |
| Glycogen synthase kinase-3 beta | Homo sapiens (human) | IC50 | 3.0847 | 3 | 7 |
| Glycogen synthase kinase-3 beta | Rattus norvegicus (Norway rat) | IC50 | 28.9715 | 1 | 20 |
| Glycoside hydrolase family 92 | Bacteroides thetaiotaomicron VPI-5482 | Ki | 9.5000 | 2 | 4 |
| Group 10 secretory phospholipase A2 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 2 |
| Guanine deaminase | Homo sapiens (human) | Ki | 7.8750 | 1 | 2 |
| Heat sensitive channel TRPV3 | Rattus norvegicus (Norway rat) | IC50 | 0.7500 | 1 | 1 |
| heat shock 70kDa protein 1A | Homo sapiens (human) | IC50 | 66.9200 | 3 | 3 |
| heat shock cognate 71 kDa protein isoform 1 | Homo sapiens (human) | IC50 | 99.6000 | 2 | 2 |
| heat shock cognate 71 kDa protein isoform 2 | Homo sapiens (human) | IC50 | 99.6000 | 2 | 2 |
| Heat shock factor protein 1 | Homo sapiens (human) | IC50 | 50.0000 | 1 | 1 |
| Heat shock protein HSP 90-alpha | Homo sapiens (human) | IC50 | 1.6300 | 1 | 1 |
| heat shock protein HSP 90-alpha isoform 2 | Homo sapiens (human) | IC50 | 16.3116 | 2 | 2 |
| Heat shock protein HSP 90-beta | Homo sapiens (human) | IC50 | 67.5000 | 2 | 3 |
| Heme oxygenase 1 | Rattus norvegicus (Norway rat) | IC50 | 6.8133 | 2 | 3 |
| Heme oxygenase 2 | Rattus norvegicus (Norway rat) | IC50 | 18.0000 | 1 | 1 |
| Hepatocyte growth factor receptor | Homo sapiens (human) | IC50 | 8.2320 | 4 | 5 |
| Hepatocyte growth factor receptor | Homo sapiens (human) | Ki | 3.3000 | 1 | 1 |
| hexokinase | Trypanosoma brucei brucei TREU927 | IC50 | 22.3780 | 1 | 1 |
| Hexose transporter 1 | Plasmodium falciparum (malaria parasite P. falciparum) | IC50 | 0.0900 | 1 | 1 |
| High affinity choline transporter 1 | Mus musculus (house mouse) | IC50 | 1.6000 | 1 | 1 |
| Histamine H1 receptor | Homo sapiens (human) | Ki | 6.6716 | 2 | 6 |
| Histamine H2 receptor | Homo sapiens (human) | Ki | 6.6716 | 2 | 6 |
| Histamine H3 receptor | Homo sapiens (human) | Ki | 3.3149 | 6 | 10 |
| Histamine H3 receptor | Rattus norvegicus (Norway rat) | Ki | 2.7460 | 5 | 11 |
| Histamine H4 receptor | Homo sapiens (human) | Ki | 6.6716 | 2 | 6 |
| histidine kinase | Streptococcus pneumoniae TIGR4 | IC50 | 216.0000 | 1 | 1 |
| Histidine-rich protein PFHRP-II | Plasmodium falciparum (malaria parasite P. falciparum) | IC50 | 20,000.0000 | 1 | 1 |
| Histone acetyltransferase KAT2B | Homo sapiens (human) | IC50 | 29.2857 | 7 | 7 |
| Histone acetyltransferase KAT5 | Homo sapiens (human) | IC50 | 68.0000 | 3 | 3 |
| Histone acetyltransferase KAT8 | Homo sapiens (human) | IC50 | 43.0000 | 1 | 1 |
| Histone acetyltransferase KAT8 | Homo sapiens (human) | Ki | 64.0000 | 1 | 1 |
| Histone acetyltransferase p300 | Homo sapiens (human) | IC50 | 12.9571 | 7 | 7 |
| Histone deacetylase 1 | Homo sapiens (human) | IC50 | 150.2438 | 6 | 8 |
| Histone deacetylase 1 | Homo sapiens (human) | Ki | 0.8811 | 2 | 3 |
| Histone deacetylase 11 | Homo sapiens (human) | IC50 | 166.2786 | 5 | 7 |
| Histone deacetylase 11 | Homo sapiens (human) | Ki | 0.0716 | 1 | 2 |
| Histone deacetylase 2 | Homo sapiens (human) | IC50 | 150.3562 | 6 | 8 |
| Histone deacetylase 2 | Homo sapiens (human) | Ki | 0.0529 | 2 | 3 |
| Histone deacetylase 3 | Homo sapiens (human) | IC50 | 166.2786 | 5 | 7 |
| Histone deacetylase 3 | Homo sapiens (human) | Ki | 0.0716 | 1 | 2 |
| Histone deacetylase 4 | Homo sapiens (human) | IC50 | 166.2786 | 5 | 7 |
| Histone deacetylase 4 | Homo sapiens (human) | Ki | 6.7144 | 2 | 3 |
| Histone deacetylase 5 | Homo sapiens (human) | IC50 | 166.2786 | 5 | 7 |
| Histone deacetylase 5 | Homo sapiens (human) | Ki | 0.8811 | 2 | 3 |
| Histone deacetylase 6 | Homo sapiens (human) | IC50 | 151.5562 | 6 | 8 |
| Histone deacetylase 6 | Homo sapiens (human) | Ki | 0.8811 | 2 | 3 |
| Histone deacetylase 7 | Homo sapiens (human) | IC50 | 166.2786 | 5 | 7 |
| Histone deacetylase 7 | Homo sapiens (human) | Ki | 0.0716 | 1 | 2 |
| Histone deacetylase 8 | Homo sapiens (human) | IC50 | 166.2786 | 5 | 7 |
| Histone deacetylase 8 | Homo sapiens (human) | Ki | 0.1071 | 2 | 3 |
| Histone deacetylase 9 | Homo sapiens (human) | IC50 | 166.2786 | 5 | 7 |
| Histone deacetylase 9 | Homo sapiens (human) | Ki | 0.0716 | 1 | 2 |
| Histone-lysine N-methyltransferase SETD7 | Homo sapiens (human) | IC50 | 151.5200 | 2 | 4 |
| Homeobox protein Nkx-2.5 | Mus musculus (house mouse) | IC50 | 22.0000 | 1 | 1 |
| Hormone-sensitive lipase | Rattus norvegicus (Norway rat) | IC50 | 1.1000 | 1 | 1 |
| Hyaluronate lyase | Streptococcus pneumoniae TIGR4 | IC50 | 6,000.0000 | 1 | 1 |
| Hyaluronidase-1 | Homo sapiens (human) | IC50 | 1,272.5000 | 1 | 2 |
| Hydroxycarboxylic acid receptor 2 | Homo sapiens (human) | IC50 | 4.3681 | 16 | 16 |
| Hydroxycarboxylic acid receptor 2 | Mus musculus (house mouse) | IC50 | 0.1400 | 3 | 3 |
| Hydroxycarboxylic acid receptor 2 | Homo sapiens (human) | Ki | 3.8272 | 4 | 5 |
| hypothetical protein SA1422 | Staphylococcus aureus subsp. aureus N315 | IC50 | 19.3900 | 2 | 2 |
| Hypoxanthine-guanine phosphoribosyltransferase | Homo sapiens (human) | Ki | 8.9800 | 1 | 1 |
| Hypoxia-inducible factor 1-alpha | Homo sapiens (human) | IC50 | 50.0483 | 4 | 4 |
| Hypoxia-inducible factor 1-alpha inhibitor | Homo sapiens (human) | IC50 | 10.2000 | 1 | 1 |
| Indoleamine 2,3-dioxygenase 1 | Homo sapiens (human) | IC50 | 239.4467 | 9 | 9 |
| Indoleamine 2,3-dioxygenase 1 | Homo sapiens (human) | Ki | 79.0500 | 4 | 4 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Homo sapiens (human) | IC50 | 22.0457 | 2 | 7 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Homo sapiens (human) | Ki | 7.1200 | 2 | 7 |
| Inhibin alpha chain | Homo sapiens (human) | IC50 | 5.2000 | 1 | 1 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta | Homo sapiens (human) | IC50 | 5.9000 | 2 | 2 |
| Inosine-5'-monophosphate dehydrogenase 2 | Homo sapiens (human) | IC50 | 22.7000 | 1 | 1 |
| Inositol hexakisphosphate kinase 2 | Homo sapiens (human) | IC50 | 5.9714 | 1 | 7 |
| Inositol polyphosphate multikinase | Homo sapiens (human) | IC50 | 11.5000 | 1 | 7 |
| Insulin receptor | Homo sapiens (human) | IC50 | 0.3400 | 1 | 1 |
| Insulin receptor | Homo sapiens (human) | Ki | 2.6000 | 1 | 1 |
| Insulin-degrading enzyme | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| Insulin-like growth factor 1 receptor | Homo sapiens (human) | IC50 | 0.4833 | 3 | 3 |
| Integrase | Human immunodeficiency virus 1 | IC50 | 19.8263 | 24 | 62 |
| integrase, partial | Human immunodeficiency virus 1 | IC50 | 6.1115 | 2 | 14 |
| Integrin alpha-L | Homo sapiens (human) | IC50 | 0.9500 | 1 | 1 |
| Interstitial collagenase | Homo sapiens (human) | IC50 | 9.9737 | 3 | 8 |
| intestinal alkaline phosphatase precursor | Mus musculus (house mouse) | IC50 | 5.6800 | 1 | 3 |
| Intestinal-type alkaline phosphatase | Bos taurus (cattle) | IC50 | 80.2060 | 5 | 5 |
| Intestinal-type alkaline phosphatase | Homo sapiens (human) | IC50 | 39.0400 | 3 | 5 |
| Isocitrate dehydrogenase [NADP] cytoplasmic | Homo sapiens (human) | Ki | 3.0100 | 1 | 2 |
| Kappa-type opioid receptor | Cavia porcellus (domestic guinea pig) | IC50 | 118.3580 | 10 | 18 |
| Kappa-type opioid receptor | Homo sapiens (human) | IC50 | 0.6550 | 3 | 3 |
| Kappa-type opioid receptor | Mus musculus (house mouse) | IC50 | 0.1370 | 3 | 6 |
| Kappa-type opioid receptor | Rattus norvegicus (Norway rat) | IC50 | 0.0545 | 8 | 9 |
| Kappa-type opioid receptor | Cavia porcellus (domestic guinea pig) | Ki | 4.6570 | 20 | 26 |
| Kappa-type opioid receptor | Homo sapiens (human) | Ki | 0.1836 | 28 | 29 |
| Kappa-type opioid receptor | Mus musculus (house mouse) | Ki | 0.9252 | 2 | 2 |
| Kappa-type opioid receptor | Rattus norvegicus (Norway rat) | Ki | 0.1130 | 2 | 2 |
| Kelch-like ECH-associated protein 1 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 2 |
| Kinesin-like protein KIF11 | Homo sapiens (human) | IC50 | 63.0000 | 1 | 1 |
| Kruppel-like factor 5 | Homo sapiens (human) | IC50 | 0.0832 | 3 | 3 |
| Kynurenine--oxoglutarate transaminase 1 | Homo sapiens (human) | IC50 | 140.0000 | 2 | 2 |
| L-lactate dehydrogenase A chain | Homo sapiens (human) | Ki | 24.0000 | 1 | 1 |
| L-selectin | Homo sapiens (human) | IC50 | 27.6000 | 1 | 1 |
| Lactase-phlorizin hydrolase | Homo sapiens (human) | IC50 | 62.0000 | 1 | 1 |
| Lactase-phlorizin hydrolase | Rattus norvegicus (Norway rat) | IC50 | 19.9333 | 4 | 6 |
| Lactoperoxidase | Bos taurus (cattle) | IC50 | 6.1000 | 1 | 1 |
| Lactoylglutathione lyase | Homo sapiens (human) | IC50 | 5.9700 | 4 | 8 |
| Lactoylglutathione lyase | Homo sapiens (human) | Ki | 32.2182 | 1 | 4 |
| Lactoylglutathione lyase | Mus musculus (house mouse) | Ki | 0.2900 | 1 | 1 |
| Lanosterol synthase | Homo sapiens (human) | IC50 | 4.2300 | 2 | 2 |
| Large neutral amino acids transporter small subunit 1 | Homo sapiens (human) | IC50 | 115.0000 | 4 | 10 |
| Large neutral amino acids transporter small subunit 1 | Rattus norvegicus (Norway rat) | Ki | 55.0000 | 1 | 1 |
| large T antigen | Betapolyomavirus macacae | IC50 | 17.5588 | 1 | 8 |
| lens epithelium-derived growth factor p75 | Homo sapiens (human) | IC50 | 6.1115 | 2 | 14 |
| Lethal factor | Bacillus anthracis | IC50 | 0.0970 | 1 | 1 |
| Leukotriene A-4 hydrolase | Homo sapiens (human) | IC50 | 242.5000 | 2 | 4 |
| Leukotriene B4 receptor 1 | Homo sapiens (human) | IC50 | 0.0434 | 2 | 2 |
| Leukotriene B4 receptor 1 | Homo sapiens (human) | Ki | 0.1327 | 4 | 4 |
| Leukotriene B4 receptor 2 | Homo sapiens (human) | Ki | 0.2630 | 2 | 2 |
| likely tRNA 2'-phosphotransferase | Candida albicans SC5314 | IC50 | 0.2913 | 2 | 2 |
| Linoleate 9S-lipoxygenase-4 | Glycine max (soybean) | IC50 | 586.0000 | 2 | 2 |
| Lipoxygenase | Glycine max (soybean) | IC50 | 23.3460 | 5 | 5 |
| Lipoxygenase | Solanum tuberosum (potato) | IC50 | 10.0000 | 1 | 1 |
| Liver carboxylesterase 1 | Homo sapiens (human) | IC50 | 0.1000 | 1 | 3 |
| Liver carboxylesterase 1 | Homo sapiens (human) | Ki | 71.1900 | 6 | 20 |
| Liver carboxylesterase 1 | Oryctolagus cuniculus (rabbit) | Ki | 73.4389 | 4 | 18 |
| Liver carboxylesterase B-1 | Rattus norvegicus (Norway rat) | IC50 | 0.0450 | 1 | 1 |
| Low molecular weight phosphotyrosine protein phosphatase | Homo sapiens (human) | IC50 | 17.7500 | 4 | 6 |
| Low molecular weight protein-tyrosine phosphatase A | Mycobacterium tuberculosis H37Rv | IC50 | 4.6500 | 1 | 1 |
| Luciferin 4-monooxygenase | Photinus pyralis (common eastern firefly) | IC50 | 0.0589 | 1 | 1 |
| Lysine-specific demethylase 4E | Homo sapiens (human) | IC50 | 3.0000 | 1 | 3 |
| Lysine-specific demethylase 4E | Homo sapiens (human) | Ki | 3.9400 | 1 | 2 |
| Lysine-specific histone demethylase 1A | Homo sapiens (human) | IC50 | 11.7943 | 12 | 21 |
| Lysine-specific histone demethylase 1A | Homo sapiens (human) | Ki | 1.0000 | 1 | 1 |
| Lysosomal acid glucosylceramidase | Bos taurus (cattle) | IC50 | 107.8000 | 2 | 2 |
| Lysosomal acid glucosylceramidase | Homo sapiens (human) | IC50 | 229.1250 | 6 | 8 |
| Lysosomal acid glucosylceramidase | Homo sapiens (human) | Ki | 68.3333 | 3 | 3 |
| Lysosomal alpha-glucosidase | Homo sapiens (human) | IC50 | 75.0760 | 8 | 10 |
| Lysosomal alpha-glucosidase | Rattus norvegicus (Norway rat) | IC50 | 72.5917 | 6 | 6 |
| Lysosomal alpha-glucosidase | Homo sapiens (human) | Ki | 6.7636 | 3 | 5 |
| Lysosomal alpha-glucosidase | Rattus norvegicus (Norway rat) | Ki | 815.0000 | 2 | 2 |
| Lysosomal alpha-mannosidase | Homo sapiens (human) | IC50 | 6.6867 | 3 | 3 |
| Lysosomal Pro-X carboxypeptidase | Homo sapiens (human) | Ki | 10.0000 | 1 | 1 |
| Lysozyme C-1 | Rattus norvegicus (Norway rat) | IC50 | 9.7000 | 1 | 1 |
| Lysyl oxidase homolog 2 | Homo sapiens (human) | IC50 | 5.1461 | 13 | 14 |
| Lysyl oxidase homolog 2 | Mus musculus (house mouse) | IC50 | 0.1280 | 1 | 1 |
| Lysyl oxidase homolog 2 | Rattus norvegicus (Norway rat) | IC50 | 0.1270 | 1 | 1 |
| Lysyl oxidase homolog 3 | Homo sapiens (human) | IC50 | 0.2400 | 2 | 2 |
| Lysyl oxidase homolog 4 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| M-phase inducer phosphatase 1 | Homo sapiens (human) | IC50 | 2.0500 | 2 | 2 |
| M-phase inducer phosphatase 2 | Homo sapiens (human) | IC50 | 16.2600 | 3 | 3 |
| M1-family alanyl aminopeptidase | Plasmodium falciparum 3D7 | IC50 | 59.8167 | 2 | 3 |
| M17 leucyl aminopeptidase | Plasmodium falciparum 3D7 | IC50 | 86.6900 | 2 | 2 |
| M18 aspartyl aminopeptidase | Plasmodium falciparum 3D7 | IC50 | 15.6371 | 2 | 3 |
| Macrophage metalloelastase | Homo sapiens (human) | IC50 | 5.6050 | 1 | 2 |
| Macrophage migration inhibitory factor | Homo sapiens (human) | IC50 | 40.1817 | 6 | 18 |
| Macrophage migration inhibitory factor | Homo sapiens (human) | Ki | 92.9750 | 2 | 2 |
| Macrophage migration inhibitory factor | Plasmodium falciparum 3D7 | IC50 | 10.0000 | 1 | 1 |
| Macrophage-expressed gene 1 protein | Homo sapiens (human) | IC50 | 0.2100 | 2 | 2 |
| major prion protein preproprotein Prp precursor | Homo sapiens (human) | IC50 | 13.9560 | 1 | 1 |
| Malate dehydrogenase | Thermus thermophilus | IC50 | 6.0000 | 1 | 1 |
| Malate dehydrogenase, cytoplasmic | Homo sapiens (human) | IC50 | 125.0000 | 1 | 1 |
| Maltase-glucoamylase, intestinal | Homo sapiens (human) | IC50 | 20.1757 | 12 | 14 |
| Maltase-glucoamylase, intestinal | Homo sapiens (human) | Ki | 6.3667 | 2 | 3 |
| Mannosyl-oligosaccharide alpha-1,2-mannosidase IA | Drosophila melanogaster (fruit fly) | IC50 | 0.0050 | 1 | 1 |
| Mannosyl-oligosaccharide alpha-1,2-mannosidase IA | Drosophila melanogaster (fruit fly) | Ki | 0.0030 | 1 | 1 |
| MAP kinase-activated protein kinase 5 | Homo sapiens (human) | IC50 | 1.0000 | 1 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | Homo sapiens (human) | IC50 | 0.6920 | 1 | 2 |
| MAP kinase-interacting serine/threonine-protein kinase 2 | Homo sapiens (human) | IC50 | 0.4155 | 1 | 2 |
| MAP/microtubule affinity-regulating kinase 4 | Homo sapiens (human) | IC50 | 1.7700 | 1 | 1 |
| Mast/stem cell growth factor receptor Kit | Homo sapiens (human) | IC50 | 3.7500 | 6 | 6 |
| Matrilysin | Homo sapiens (human) | IC50 | 71.9171 | 2 | 21 |
| Matrix metalloproteinase-14 | Homo sapiens (human) | IC50 | 6.8000 | 1 | 1 |
| matrix metalloproteinase-14 preproprotein | Homo sapiens (human) | IC50 | 30.6000 | 1 | 1 |
| Matrix metalloproteinase-9 | Homo sapiens (human) | IC50 | 5.6001 | 5 | 6 |
| Mcl-1 | Homo sapiens (human) | IC50 | 12.3338 | 2 | 5 |
| Melatonin receptor type 1A | Homo sapiens (human) | Ki | 1.0550 | 2 | 2 |
| Melatonin receptor type 1B | Homo sapiens (human) | Ki | 0.0160 | 1 | 1 |
| Metallo-beta-lactamase type 2 | Klebsiella pneumoniae | IC50 | 1,947.9200 | 1 | 2 |
| Microtubule-associated protein tau | Homo sapiens (human) | IC50 | 2.2500 | 2 | 4 |
| Mitogen-activated protein kinase 10 | Homo sapiens (human) | IC50 | 25.2471 | 1 | 35 |
| Mitogen-activated protein kinase 14 | Homo sapiens (human) | IC50 | 24.6072 | 2 | 36 |
| Mitogen-activated protein kinase 8 | Mus musculus (house mouse) | IC50 | 4.6000 | 1 | 1 |
| Mitogen-activated protein kinase kinase kinase 8 | Homo sapiens (human) | IC50 | 2.3700 | 1 | 1 |
| MO15-related protein kinase Pfmrk | Plasmodium falciparum (malaria parasite P. falciparum) | IC50 | 125.0000 | 1 | 2 |
| Monocarboxylate transporter 1 | Rattus norvegicus (Norway rat) | IC50 | 21.0000 | 1 | 2 |
| Monocarboxylate transporter 2 | Rattus norvegicus (Norway rat) | IC50 | 9.5000 | 1 | 2 |
| Monocarboxylate transporter 4 | Homo sapiens (human) | IC50 | 41.0000 | 1 | 1 |
| mothers against decapentaplegic homolog 3 isoform 1 | Homo sapiens (human) | IC50 | 0.1420 | 1 | 1 |
| MPI protein | Homo sapiens (human) | IC50 | 39.3348 | 2 | 4 |
| Mu-type opioid receptor | Cavia porcellus (domestic guinea pig) | IC50 | 2.8980 | 6 | 6 |
| Mu-type opioid receptor | Homo sapiens (human) | IC50 | 0.5250 | 10 | 10 |
| Mu-type opioid receptor | Mus musculus (house mouse) | IC50 | 55.9298 | 9 | 12 |
| Mu-type opioid receptor | Rattus norvegicus (Norway rat) | IC50 | 0.0385 | 11 | 13 |
| Mu-type opioid receptor | Bos taurus (cattle) | Ki | 0.0013 | 3 | 3 |
| Mu-type opioid receptor | Cavia porcellus (domestic guinea pig) | Ki | 0.0555 | 17 | 26 |
| Mu-type opioid receptor | Danio rerio (zebrafish) | Ki | 0.1872 | 2 | 2 |
| Mu-type opioid receptor | Homo sapiens (human) | Ki | 0.2664 | 35 | 36 |
| Mu-type opioid receptor | Mus musculus (house mouse) | Ki | 0.0801 | 4 | 6 |
| Mu-type opioid receptor | Rattus norvegicus (Norway rat) | Ki | 0.0271 | 17 | 27 |
| Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | Homo sapiens (human) | IC50 | 1.5500 | 2 | 2 |
| Multidrug and toxin extrusion protein 1 | Homo sapiens (human) | IC50 | 267.2500 | 1 | 2 |
| Multidrug resistance-associated protein 1 | Homo sapiens (human) | IC50 | 38.6000 | 3 | 5 |
| Multidrug resistance-associated protein 1 | Homo sapiens (human) | Ki | 6.5778 | 4 | 9 |
| Multidrug resistance-associated protein 4 | Homo sapiens (human) | IC50 | 99.2667 | 1 | 12 |
| Muscarinic acetylcholine receptor M1 | Rattus norvegicus (Norway rat) | IC50 | 94.0556 | 4 | 8 |
| Muscarinic acetylcholine receptor M1 | Rattus norvegicus (Norway rat) | Ki | 15.3736 | 4 | 8 |
| Muscarinic acetylcholine receptor M2 | Rattus norvegicus (Norway rat) | IC50 | 78.3420 | 3 | 5 |
| Muscarinic acetylcholine receptor M2 | Rattus norvegicus (Norway rat) | Ki | 0.0320 | 2 | 6 |
| Muscarinic acetylcholine receptor M2 | Sus scrofa (pig) | Ki | 0.2344 | 1 | 1 |
| Muscarinic acetylcholine receptor M3 | Rattus norvegicus (Norway rat) | IC50 | 78.3420 | 3 | 5 |
| Muscarinic acetylcholine receptor M3 | Rattus norvegicus (Norway rat) | Ki | 0.0320 | 2 | 6 |
| Muscarinic acetylcholine receptor M4 | Rattus norvegicus (Norway rat) | IC50 | 78.3420 | 3 | 5 |
| Muscarinic acetylcholine receptor M4 | Mus musculus (house mouse) | Ki | 2.1100 | 1 | 1 |
| Muscarinic acetylcholine receptor M4 | Rattus norvegicus (Norway rat) | Ki | 0.2889 | 4 | 8 |
| Muscarinic acetylcholine receptor M5 | Rattus norvegicus (Norway rat) | IC50 | 78.3420 | 3 | 5 |
| Muscarinic acetylcholine receptor M5 | Rattus norvegicus (Norway rat) | Ki | 0.0320 | 2 | 6 |
| Myc proto-oncogene protein | Homo sapiens (human) | IC50 | 60.0000 | 1 | 1 |
| Myeloid cell leukemia sequence 1 (BCL2-related) | Homo sapiens (human) | IC50 | 3.8420 | 2 | 2 |
| Myeloperoxidase | Homo sapiens (human) | IC50 | 1.8800 | 5 | 6 |
| Myosin light chain kinase, smooth muscle | Homo sapiens (human) | IC50 | 12.0000 | 2 | 2 |
| Myosin light chain kinase, smooth muscle | Homo sapiens (human) | Ki | 1.7000 | 1 | 1 |
| N-acylethanolamine-hydrolyzing acid amidase | Homo sapiens (human) | IC50 | 100.0000 | 1 | 2 |
| N-acylethanolamine-hydrolyzing acid amidase | Rattus norvegicus (Norway rat) | IC50 | 4.1000 | 1 | 1 |
| N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | Homo sapiens (human) | Ki | 2,350.0000 | 1 | 2 |
| N1L | Vaccinia virus | IC50 | 21.9000 | 2 | 2 |
| NACHT, LRR and PYD domains-containing protein 3 | Mus musculus (house mouse) | IC50 | 5.4050 | 2 | 2 |
| NAD | Homo sapiens (human) | IC50 | 5.4667 | 3 | 3 |
| NAD kinase | Homo sapiens (human) | IC50 | 50.4800 | 2 | 2 |
| NAD kinase | Homo sapiens (human) | Ki | 3.2800 | 1 | 1 |
| NAD-dependent histone deacetylase SIR2 | Saccharomyces cerevisiae S288C | IC50 | 136.0000 | 1 | 2 |
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | Homo sapiens (human) | IC50 | 70.0000 | 1 | 1 |
| NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 2 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 3 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 4 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 1 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 10, mitochondrial | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 12 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 13 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 2 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 3 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 4-like 2 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 5 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 6 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 7 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 9, mitochondrial | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 1 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 11, mitochondrial | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 2, mitochondrial | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 3 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 4 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 5, mitochondrial | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 6 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 7 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 8, mitochondrial | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 9 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 subunit C1, mitochondrial | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] 1 subunit C2 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] flavoprotein 3, mitochondrial | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] iron-sulfur protein 2, mitochondrial | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] iron-sulfur protein 3, mitochondrial | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] iron-sulfur protein 4, mitochondrial | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] iron-sulfur protein 5 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH-ubiquinone oxidoreductase chain 1 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH-ubiquinone oxidoreductase chain 2 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH-ubiquinone oxidoreductase chain 3 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH-ubiquinone oxidoreductase chain 4 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH-ubiquinone oxidoreductase chain 4L | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH-ubiquinone oxidoreductase chain 5 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADH-ubiquinone oxidoreductase chain 6 | Homo sapiens (human) | IC50 | 14.5000 | 2 | 2 |
| NADPH oxidase 1 | Homo sapiens (human) | IC50 | 0.3588 | 2 | 2 |
| NADPH oxidase 4 | Homo sapiens (human) | IC50 | 0.8675 | 1 | 4 |
| NADPH--cytochrome P450 reductase | Homo sapiens (human) | IC50 | 11.0000 | 1 | 1 |
| NEDD8-conjugating enzyme Ubc12 | Homo sapiens (human) | IC50 | 10.3300 | 1 | 1 |
| Neprilysin | Mus musculus (house mouse) | IC50 | 20.0000 | 1 | 1 |
| Neprilysin | Rattus norvegicus (Norway rat) | IC50 | 20.0000 | 1 | 2 |
| Neuraminidase | Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | IC50 | 31.0820 | 3 | 5 |
| Neuraminidase | Influenza A virus (A/USSR/90/1977(H1N1)) | IC50 | 127.8000 | 4 | 12 |
| Neuraminidase | Influenza A virus (A/RI/5+/1957(H2N2)) | IC50 | 11.9000 | 1 | 1 |
| Neuraminidase | Influenza A virus (A/Wilson-Smith/1933(H1N1)) | IC50 | 62.4618 | 13 | 67 |
| Neuraminidase | Influenza A virus (A/Wilson-Smith/1933(H1N1)) | Ki | 21.6213 | 2 | 8 |
| Neuronal acetylcholine receptor subunit alpha-10 | Rattus norvegicus (Norway rat) | IC50 | 0.0050 | 2 | 2 |
| Neuronal acetylcholine receptor subunit alpha-10 | Rattus norvegicus (Norway rat) | Ki | 10.5041 | 3 | 8 |
| Neuronal acetylcholine receptor subunit alpha-2 | Mus musculus (house mouse) | IC50 | 0.0040 | 1 | 1 |
| Neuronal acetylcholine receptor subunit alpha-2 | Rattus norvegicus (Norway rat) | IC50 | 0.0050 | 2 | 2 |
| Neuronal acetylcholine receptor subunit alpha-2 | Homo sapiens (human) | Ki | 0.0595 | 3 | 3 |
| Neuronal acetylcholine receptor subunit alpha-2 | Mus musculus (house mouse) | Ki | 0.0012 | 1 | 1 |
| Neuronal acetylcholine receptor subunit alpha-2 | Rattus norvegicus (Norway rat) | Ki | 2.8678 | 29 | 36 |
| Neuronal acetylcholine receptor subunit alpha-3 | Homo sapiens (human) | IC50 | 0.3900 | 4 | 4 |
| Neuronal acetylcholine receptor subunit alpha-3 | Mus musculus (house mouse) | IC50 | 0.0040 | 1 | 1 |
| Neuronal acetylcholine receptor subunit alpha-3 | Rattus norvegicus (Norway rat) | IC50 | 5.0025 | 4 | 4 |
| Neuronal acetylcholine receptor subunit alpha-3 | Homo sapiens (human) | Ki | 0.4775 | 23 | 27 |
| Neuronal acetylcholine receptor subunit alpha-3 | Mus musculus (house mouse) | Ki | 0.0841 | 2 | 2 |
| Neuronal acetylcholine receptor subunit alpha-3 | Rattus norvegicus (Norway rat) | Ki | 3.3747 | 39 | 53 |
| Neuronal acetylcholine receptor subunit alpha-4 | Homo sapiens (human) | IC50 | 2.2998 | 12 | 14 |
| Neuronal acetylcholine receptor subunit alpha-4 | Mus musculus (house mouse) | IC50 | 0.0055 | 2 | 2 |
| Neuronal acetylcholine receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | IC50 | 0.3247 | 6 | 7 |
| Neuronal acetylcholine receptor subunit alpha-4 | Gallus gallus (chicken) | Ki | 0.0019 | 1 | 1 |
| Neuronal acetylcholine receptor subunit alpha-4 | Homo sapiens (human) | Ki | 0.2897 | 32 | 36 |
| Neuronal acetylcholine receptor subunit alpha-4 | Mus musculus (house mouse) | Ki | 0.0012 | 1 | 1 |
| Neuronal acetylcholine receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | Ki | 1.9510 | 85 | 111 |
| Neuronal acetylcholine receptor subunit alpha-5 | Mus musculus (house mouse) | IC50 | 0.0040 | 1 | 1 |
| Neuronal acetylcholine receptor subunit alpha-5 | Rattus norvegicus (Norway rat) | IC50 | 0.0050 | 2 | 2 |
| Neuronal acetylcholine receptor subunit alpha-5 | Mus musculus (house mouse) | Ki | 0.0012 | 1 | 1 |
| Neuronal acetylcholine receptor subunit alpha-5 | Rattus norvegicus (Norway rat) | Ki | 10.5041 | 3 | 8 |
| Neuronal acetylcholine receptor subunit alpha-6 | Homo sapiens (human) | IC50 | 0.0848 | 1 | 1 |
| Neuronal acetylcholine receptor subunit alpha-6 | Mus musculus (house mouse) | IC50 | 0.0040 | 1 | 1 |
| Neuronal acetylcholine receptor subunit alpha-6 | Rattus norvegicus (Norway rat) | IC50 | 0.0050 | 2 | 2 |
| Neuronal acetylcholine receptor subunit alpha-6 | Mus musculus (house mouse) | Ki | 0.0012 | 1 | 1 |
| Neuronal acetylcholine receptor subunit alpha-6 | Rattus norvegicus (Norway rat) | Ki | 10.5041 | 3 | 8 |
| Neuronal acetylcholine receptor subunit alpha-7 | Homo sapiens (human) | IC50 | 14.3000 | 2 | 2 |
| Neuronal acetylcholine receptor subunit alpha-7 | Mus musculus (house mouse) | IC50 | 0.0040 | 1 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 | Rattus norvegicus (Norway rat) | IC50 | 0.0087 | 3 | 3 |
| Neuronal acetylcholine receptor subunit alpha-7 | Homo sapiens (human) | Ki | 5.4201 | 18 | 23 |
| Neuronal acetylcholine receptor subunit alpha-7 | Mus musculus (house mouse) | Ki | 0.2406 | 2 | 2 |
| Neuronal acetylcholine receptor subunit alpha-7 | Rattus norvegicus (Norway rat) | Ki | 5.5911 | 21 | 30 |
| Neuronal acetylcholine receptor subunit alpha-9 | Rattus norvegicus (Norway rat) | IC50 | 0.0041 | 3 | 3 |
| Neuronal acetylcholine receptor subunit alpha-9 | Rattus norvegicus (Norway rat) | Ki | 10.5041 | 3 | 8 |
| Neuronal acetylcholine receptor subunit beta-2 | Homo sapiens (human) | IC50 | 2.1522 | 13 | 15 |
| Neuronal acetylcholine receptor subunit beta-2 | Mus musculus (house mouse) | IC50 | 0.0040 | 1 | 1 |
| Neuronal acetylcholine receptor subunit beta-2 | Rattus norvegicus (Norway rat) | IC50 | 0.3247 | 6 | 7 |
| Neuronal acetylcholine receptor subunit beta-2 | Homo sapiens (human) | Ki | 0.2860 | 32 | 36 |
| Neuronal acetylcholine receptor subunit beta-2 | Mus musculus (house mouse) | Ki | 0.0024 | 2 | 2 |
| Neuronal acetylcholine receptor subunit beta-2 | Rattus norvegicus (Norway rat) | Ki | 2.0785 | 90 | 114 |
| Neuronal acetylcholine receptor subunit beta-3 | Homo sapiens (human) | IC50 | 0.0848 | 1 | 1 |
| Neuronal acetylcholine receptor subunit beta-3 | Mus musculus (house mouse) | IC50 | 0.0040 | 1 | 1 |
| Neuronal acetylcholine receptor subunit beta-3 | Rattus norvegicus (Norway rat) | IC50 | 0.0050 | 2 | 2 |
| Neuronal acetylcholine receptor subunit beta-3 | Mus musculus (house mouse) | Ki | 0.0012 | 1 | 1 |
| Neuronal acetylcholine receptor subunit beta-3 | Rattus norvegicus (Norway rat) | Ki | 10.5041 | 3 | 8 |
| Neuronal acetylcholine receptor subunit beta-4 | Homo sapiens (human) | IC50 | 0.7150 | 2 | 2 |
| Neuronal acetylcholine receptor subunit beta-4 | Mus musculus (house mouse) | IC50 | 0.0040 | 1 | 1 |
| Neuronal acetylcholine receptor subunit beta-4 | Rattus norvegicus (Norway rat) | IC50 | 5.0025 | 4 | 4 |
| Neuronal acetylcholine receptor subunit beta-4 | Homo sapiens (human) | Ki | 0.4477 | 25 | 29 |
| Neuronal acetylcholine receptor subunit beta-4 | Mus musculus (house mouse) | Ki | 0.0572 | 3 | 3 |
| Neuronal acetylcholine receptor subunit beta-4 | Rattus norvegicus (Norway rat) | Ki | 2.3687 | 57 | 75 |
| Neuronal proto-oncogene tyrosine-protein kinase Src | Mus musculus (house mouse) | IC50 | 194.7000 | 1 | 1 |
| Neutral alpha-glucosidase AB | Homo sapiens (human) | IC50 | 472.8250 | 3 | 4 |
| Neutral alpha-glucosidase AB | Homo sapiens (human) | Ki | 410.0000 | 1 | 1 |
| Neutral amino acid transporter A | Homo sapiens (human) | IC50 | 948.0000 | 2 | 3 |
| Neutral amino acid transporter B(0) | Homo sapiens (human) | IC50 | 2,049.6667 | 2 | 3 |
| Neutrophil elastase | Homo sapiens (human) | IC50 | 16.0960 | 8 | 9 |
| Neutrophil elastase | Homo sapiens (human) | Ki | 11.0000 | 1 | 2 |
| Nicotinamidase | Saccharomyces cerevisiae S288C | Ki | 2,000.0000 | 1 | 1 |
| Nicotinate phosphoribosyltransferase | Homo sapiens (human) | Ki | 0.0010 | 1 | 2 |
| Nitric oxide synthase, brain | Homo sapiens (human) | Ki | 2,350.0000 | 1 | 2 |
| Nitric oxide synthase, brain | Rattus norvegicus (Norway rat) | Ki | 2,350.0000 | 1 | 2 |
| Nitric oxide synthase, inducible | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| Nitric oxide synthase, inducible | Mus musculus (house mouse) | IC50 | 30.6536 | 11 | 14 |
| Nitric oxide synthase, inducible | Homo sapiens (human) | Ki | 220.0000 | 1 | 1 |
| Nociceptin receptor | Cavia porcellus (domestic guinea pig) | Ki | 0.0025 | 1 | 1 |
| Non-lysosomal glucosylceramidase | Homo sapiens (human) | IC50 | 24.9500 | 4 | 4 |
| Non-structural protein 1 | Dengue virus | IC50 | 1.7000 | 1 | 2 |
| NUAK family SNF1-like kinase 1 | Homo sapiens (human) | IC50 | 2.8000 | 2 | 2 |
| Nuclear factor erythroid 2-related factor 2 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 2 |
| Nuclear factor NF-kappa-B p100 subunit | Homo sapiens (human) | IC50 | 18.4022 | 3 | 6 |
| Nuclear factor NF-kappa-B p105 subunit | Homo sapiens (human) | IC50 | 17.0459 | 5 | 9 |
| Nuclear receptor ROR-alpha | Mus musculus (house mouse) | IC50 | 11.3000 | 1 | 1 |
| Nuclear receptor ROR-gamma | Homo sapiens (human) | IC50 | 3.5333 | 3 | 3 |
| nuclear receptor subfamily 0 group B member 1 | Homo sapiens (human) | IC50 | 34.6405 | 2 | 7 |
| Nuclear receptor subfamily 1 group I member 2 | Homo sapiens (human) | IC50 | 12.0000 | 1 | 1 |
| Nucleophosmin | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| Oligo-1,6-glucosidase IMA1 | Saccharomyces cerevisiae S288C | IC50 | 430.0000 | 2 | 2 |
| Opioid receptor homologue | Danio rerio (zebrafish) | Ki | 0.2230 | 1 | 1 |
| Opioid receptor, delta 1b | Danio rerio (zebrafish) | Ki | 1.4270 | 1 | 1 |
| Ornithine decarboxylase | Homo sapiens (human) | IC50 | 22.5000 | 1 | 2 |
| Oxysterols receptor LXR-alpha | Homo sapiens (human) | IC50 | 91.7500 | 3 | 8 |
| Oxysterols receptor LXR-beta | Homo sapiens (human) | IC50 | 99.0000 | 2 | 6 |
| P-selectin | Homo sapiens (human) | IC50 | 19.1000 | 1 | 1 |
| P2Y purinoceptor 12 | Rattus norvegicus (Norway rat) | IC50 | 25.5000 | 1 | 1 |
| P2Y purinoceptor 12 | Homo sapiens (human) | Ki | 16.6000 | 2 | 4 |
| Palmitoleoyl-protein carboxylesterase NOTUM | Homo sapiens (human) | IC50 | 18.6000 | 1 | 1 |
| Pancreatic alpha-amylase | Rattus norvegicus (Norway rat) | IC50 | 26.5000 | 1 | 1 |
| Pancreatic alpha-amylase | Sus scrofa (pig) | IC50 | 143.3400 | 1 | 5 |
| Pancreatic alpha-amylase | Rattus norvegicus (Norway rat) | Ki | 43.4000 | 1 | 1 |
| Pancreatic triacylglycerol lipase | Homo sapiens (human) | IC50 | 36.0000 | 1 | 1 |
| Pancreatic triacylglycerol lipase | Sus scrofa (pig) | IC50 | 183.5176 | 7 | 17 |
| Pancreatic triacylglycerol lipase | Sus scrofa (pig) | Ki | 2.6300 | 1 | 2 |
| Papain | Carica papaya (papaya) | IC50 | 3,465.0000 | 1 | 1 |
| Peptide deformylase | Escherichia coli | IC50 | 1,000.0000 | 1 | 1 |
| Peptide deformylase 1A, chloroplastic/mitochondrial | Arabidopsis thaliana (thale cress) | IC50 | 1,000.0000 | 1 | 1 |
| Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | IC50 | 15.0000 | 2 | 2 |
| Peroxisome proliferator-activated receptor gamma | Homo sapiens (human) | IC50 | 3.9500 | 1 | 2 |
| Peroxisome proliferator-activated receptor gamma | Homo sapiens (human) | Ki | 27.2000 | 3 | 3 |
| Phenol oxidase | Plutella xylostella (diamondback moth) | IC50 | 84.7300 | 1 | 1 |
| Phenylethanolamine N-methyltransferase | Bos taurus (cattle) | IC50 | 520.3333 | 1 | 3 |
| Phenylethanolamine N-methyltransferase | Bos taurus (cattle) | Ki | 1,405,853,512.2500 | 4 | 4 |
| Phosphatidylinositol 3-kinase regulatory subunit alpha | Homo sapiens (human) | IC50 | 3.8000 | 1 | 1 |
| Phosphatidylinositol 4-kinase alpha | Homo sapiens (human) | IC50 | 240.4000 | 1 | 1 |
| Phosphatidylinositol 4-kinase alpha | Homo sapiens (human) | Ki | 199.0000 | 1 | 1 |
| Phosphatidylinositol 4-kinase beta | Homo sapiens (human) | IC50 | 240.4000 | 1 | 1 |
| Phosphatidylinositol 4-kinase beta | Homo sapiens (human) | Ki | 199.0000 | 1 | 1 |
| Phosphatidylinositol 4-kinase type 2-alpha | Homo sapiens (human) | IC50 | 240.4000 | 1 | 1 |
| Phosphatidylinositol 4-kinase type 2-alpha | Homo sapiens (human) | Ki | 199.0000 | 1 | 1 |
| Phosphatidylinositol 4-kinase type 2-beta | Homo sapiens (human) | IC50 | 240.4000 | 1 | 1 |
| Phosphatidylinositol 4-kinase type 2-beta | Homo sapiens (human) | Ki | 199.0000 | 1 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Homo sapiens (human) | IC50 | 19.7000 | 2 | 2 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Homo sapiens (human) | IC50 | 730.8220 | 2 | 5 |
| Phosphodiesterase | Bos taurus (cattle) | IC50 | 0.1000 | 1 | 1 |
| Phosphodiesterase | Rattus norvegicus (Norway rat) | IC50 | 172.5000 | 2 | 2 |
| Phosphodiesterase isozyme 4 | Homo sapiens (human) | IC50 | 125.0000 | 1 | 1 |
| Phosphoglycerate mutase 1 | Homo sapiens (human) | IC50 | 2.5200 | 3 | 4 |
| Phospholipase A-2-activating protein | Homo sapiens (human) | IC50 | 5.0000 | 1 | 3 |
| Phospholipase A2 | Homo sapiens (human) | IC50 | 2.5000 | 2 | 2 |
| Phospholipase A2 | Rattus norvegicus (Norway rat) | IC50 | 100.0000 | 1 | 2 |
| Phospholipase A2, membrane associated | Homo sapiens (human) | IC50 | 13.6500 | 1 | 2 |
| Phosphotyrosine protein phosphatase | Mycobacterium tuberculosis | IC50 | 13.7216 | 4 | 5 |
| photoreceptor-specific nuclear receptor | Homo sapiens (human) | IC50 | 1.9210 | 1 | 1 |
| Plasma kallikrein | Homo sapiens (human) | Ki | 9.6000 | 1 | 1 |
| Plasminogen activator inhibitor 1 | Homo sapiens (human) | IC50 | 3.3455 | 1 | 2 |
| Platelet-activating factor receptor | Cavia porcellus (domestic guinea pig) | IC50 | 4.5000 | 1 | 1 |
| Platelet-derived growth factor receptor beta | Homo sapiens (human) | IC50 | 1.3000 | 1 | 1 |
| Pleiotropic ABC efflux transporter of multiple drugs | Saccharomyces cerevisiae S288C | IC50 | 400.0000 | 1 | 1 |
| Poly [ADP-ribose] polymerase 1 | Homo sapiens (human) | IC50 | 3.1288 | 5 | 6 |
| Poly [ADP-ribose] polymerase 2 | Homo sapiens (human) | IC50 | 10.3000 | 2 | 2 |
| Poly [ADP-ribose] polymerase tankyrase-1 | Homo sapiens (human) | IC50 | 1.8279 | 2 | 3 |
| Poly [ADP-ribose] polymerase tankyrase-2 | Homo sapiens (human) | IC50 | 0.9522 | 2 | 3 |
| Polyamine deacetylase HDAC10 | Homo sapiens (human) | IC50 | 166.2786 | 5 | 7 |
| Polyamine deacetylase HDAC10 | Homo sapiens (human) | Ki | 0.0716 | 1 | 2 |
| Polymerase acidic protein | Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | IC50 | 5.8600 | 1 | 1 |
| Polypeptide N-acetylgalactosaminyltransferase 2 | Homo sapiens (human) | IC50 | 1.6033 | 2 | 3 |
| Polyphenol oxidase 1 | Agaricus bisporus | IC50 | 161.8400 | 2 | 2 |
| Polyphenol oxidase 2 | Agaricus bisporus | IC50 | 1,542.5209 | 52 | 92 |
| Polyphenol oxidase 2 | Agaricus bisporus | Ki | 714.3533 | 2 | 3 |
| Polyunsaturated fatty acid 5-lipoxygenase | Homo sapiens (human) | IC50 | 18.2667 | 33 | 49 |
| Polyunsaturated fatty acid 5-lipoxygenase | Mus musculus (house mouse) | IC50 | 0.4000 | 1 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase | Rattus norvegicus (Norway rat) | IC50 | 13.2139 | 14 | 23 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 | Homo sapiens (human) | IC50 | 29.5950 | 8 | 16 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 | Homo sapiens (human) | Ki | 1.6000 | 1 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 | Homo sapiens (human) | IC50 | 23.1040 | 12 | 20 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 | Oryctolagus cuniculus (rabbit) | IC50 | 7.8526 | 4 | 12 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 | Homo sapiens (human) | Ki | 0.6000 | 1 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) | IC50 | 55.4265 | 4 | 17 |
| Polyunsaturated fatty acid lipoxygenase ALOX15B | Rattus norvegicus (Norway rat) | IC50 | 0.2600 | 1 | 1 |
| Potassium voltage-gated channel subfamily A member 3 | Homo sapiens (human) | IC50 | 101.0000 | 1 | 1 |
| Potassium voltage-gated channel subfamily A member 5 | Homo sapiens (human) | IC50 | 3.3000 | 2 | 2 |
| Potassium voltage-gated channel subfamily D member 3 | Homo sapiens (human) | IC50 | 9.3000 | 1 | 1 |
| Potassium voltage-gated channel subfamily E member 1 | Homo sapiens (human) | IC50 | 81.4000 | 1 | 1 |
| Potassium voltage-gated channel subfamily H member 2 | Homo sapiens (human) | IC50 | 159.8706 | 11 | 16 |
| Potassium voltage-gated channel subfamily KQT member 1 | Homo sapiens (human) | IC50 | 81.4000 | 1 | 1 |
| Probable linoleate 9S-lipoxygenase 5 | Solanum tuberosum (potato) | IC50 | 43.0000 | 1 | 1 |
| Probable maltase-glucoamylase 2 | Homo sapiens (human) | IC50 | 49.3400 | 3 | 5 |
| Probable maltase-glucoamylase 2 | Homo sapiens (human) | Ki | 4.3500 | 1 | 2 |
| Procathepsin L | Homo sapiens (human) | IC50 | 14.4333 | 1 | 3 |
| Progesterone receptor | Homo sapiens (human) | IC50 | 15.0000 | 1 | 1 |
| Programmed cell death 1 ligand 1 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 2 |
| Programmed cell death protein 1 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 2 |
| Prolyl 4-hydroxylase subunit alpha-1 | Gallus gallus (chicken) | Ki | 4,569.0000 | 1 | 10 |
| Prolyl endopeptidase | Homo sapiens (human) | IC50 | 96.1857 | 3 | 7 |
| Prostaglandin D2 receptor 2 | Homo sapiens (human) | IC50 | 0.0607 | 1 | 1 |
| Prostaglandin E synthase | Homo sapiens (human) | IC50 | 4.8500 | 5 | 6 |
| Prostaglandin G/H synthase 1 | Homo sapiens (human) | IC50 | 93.8917 | 14 | 30 |
| Prostaglandin G/H synthase 1 | Ovis aries (sheep) | IC50 | 42.6561 | 15 | 18 |
| Prostaglandin G/H synthase 1 | Bos taurus (cattle) | IC50 | 1,123.5385 | 6 | 13 |
| Prostaglandin G/H synthase 1 | Rattus norvegicus (Norway rat) | IC50 | 38.4900 | 3 | 6 |
| Prostaglandin G/H synthase 2 | Homo sapiens (human) | IC50 | 63.9455 | 28 | 48 |
| Prostaglandin G/H synthase 2 | Mus musculus (house mouse) | IC50 | 13.7675 | 3 | 4 |
| Prostaglandin G/H synthase 2 | Ovis aries (sheep) | IC50 | 902.2364 | 8 | 14 |
| Prostaglandin G/H synthase 2 | Bos taurus (cattle) | IC50 | 14.0000 | 1 | 1 |
| Prostaglandin G/H synthase 2 | Rattus norvegicus (Norway rat) | IC50 | 38.4900 | 3 | 6 |
| Protease | Human immunodeficiency virus 1 | IC50 | 50.6367 | 8 | 12 |
| Proteasome subunit beta type-1 | Homo sapiens (human) | IC50 | 14.8400 | 3 | 3 |
| Proteasome subunit beta type-2 | Homo sapiens (human) | IC50 | 13.4167 | 3 | 3 |
| Proteasome subunit beta type-5 | Homo sapiens (human) | IC50 | 333.0568 | 10 | 27 |
| Protein arginine N-methyltransferase 1 | Homo sapiens (human) | IC50 | 1,160.0000 | 1 | 1 |
| Protein disulfide-isomerase | Homo sapiens (human) | Ki | 5.9000 | 1 | 1 |
| Protein E6 | Human papillomavirus 16 | IC50 | 13.6167 | 1 | 3 |
| Protein kinase C alpha type | Homo sapiens (human) | IC50 | 46.6100 | 4 | 10 |
| Protein kinase C alpha type | Rattus norvegicus (Norway rat) | IC50 | 15.3560 | 3 | 3 |
| Protein kinase C alpha type | Homo sapiens (human) | Ki | 0.0044 | 2 | 2 |
| Protein kinase C alpha type | Rattus norvegicus (Norway rat) | Ki | 25.0000 | 2 | 2 |
| Protein kinase C beta type | Homo sapiens (human) | IC50 | 150.0000 | 1 | 1 |
| Protein kinase C beta type | Rattus norvegicus (Norway rat) | IC50 | 15.3560 | 3 | 3 |
| Protein kinase C beta type | Homo sapiens (human) | Ki | 0.0018 | 1 | 1 |
| Protein kinase C beta type | Rattus norvegicus (Norway rat) | Ki | 25.0000 | 2 | 2 |
| Protein kinase C delta type | Rattus norvegicus (Norway rat) | IC50 | 15.3560 | 3 | 3 |
| Protein kinase C delta type | Homo sapiens (human) | Ki | 0.0008 | 1 | 1 |
| Protein kinase C delta type | Rattus norvegicus (Norway rat) | Ki | 25.0000 | 2 | 2 |
| Protein kinase C epsilon type | Homo sapiens (human) | IC50 | 150.0000 | 1 | 1 |
| Protein kinase C epsilon type | Rattus norvegicus (Norway rat) | IC50 | 15.3560 | 3 | 3 |
| Protein kinase C epsilon type | Homo sapiens (human) | Ki | 0.0004 | 1 | 1 |
| Protein kinase C epsilon type | Rattus norvegicus (Norway rat) | Ki | 25.0000 | 2 | 2 |
| Protein kinase C eta type | Rattus norvegicus (Norway rat) | IC50 | 15.3560 | 3 | 3 |
| Protein kinase C eta type | Rattus norvegicus (Norway rat) | Ki | 25.0000 | 2 | 2 |
| Protein kinase C gamma type | Rattus norvegicus (Norway rat) | IC50 | 15.3560 | 3 | 3 |
| Protein kinase C gamma type | Homo sapiens (human) | Ki | 0.0049 | 1 | 1 |
| Protein kinase C gamma type | Rattus norvegicus (Norway rat) | Ki | 25.0000 | 2 | 2 |
| Protein kinase C theta type | Rattus norvegicus (Norway rat) | IC50 | 15.3560 | 3 | 3 |
| Protein kinase C theta type | Rattus norvegicus (Norway rat) | Ki | 25.0000 | 2 | 2 |
| Protein kinase C zeta type | Rattus norvegicus (Norway rat) | IC50 | 15.3560 | 3 | 3 |
| Protein kinase C zeta type | Rattus norvegicus (Norway rat) | Ki | 25.0000 | 2 | 2 |
| protein Mdm4 isoform 1 | Homo sapiens (human) | IC50 | 3.5800 | 1 | 1 |
| Protein tyrosine phosphatase type IVA 3 | Homo sapiens (human) | IC50 | 22.1667 | 3 | 3 |
| Protein ultraspiracle | Drosophila melanogaster (fruit fly) | IC50 | 0.0457 | 1 | 1 |
| Protein-glutamine gamma-glutamyltransferase 2 | Homo sapiens (human) | IC50 | 125.9000 | 2 | 2 |
| Protein-lysine 6-oxidase | Bos taurus (cattle) | IC50 | 1.9953 | 1 | 1 |
| Protein-lysine 6-oxidase | Homo sapiens (human) | IC50 | 42.1833 | 4 | 6 |
| Protein-lysine 6-oxidase | Homo sapiens (human) | Ki | 79.0000 | 1 | 1 |
| Proteinase-activated receptor 1 | Homo sapiens (human) | Ki | 0.0022 | 1 | 1 |
| Proteinase-activated receptor 2 | Homo sapiens (human) | IC50 | 0.0185 | 2 | 2 |
| Prothrombin | Homo sapiens (human) | IC50 | 453.7429 | 6 | 7 |
| Prothrombin | Homo sapiens (human) | Ki | 0.2672 | 1 | 1 |
| Prothrombin | Bos taurus (cattle) | IC50 | 19.1933 | 3 | 6 |
| Prothrombin | Bos taurus (cattle) | Ki | 3.9000 | 1 | 1 |
| Proto-oncogene c-Fos | Homo sapiens (human) | IC50 | 0.0079 | 1 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | Homo sapiens (human) | IC50 | 59.0500 | 2 | 2 |
| Proto-oncogene tyrosine-protein kinase Src | Homo sapiens (human) | IC50 | 6,181.3477 | 13 | 13 |
| Proton-coupled amino acid transporter 1 | Homo sapiens (human) | Ki | 50,000.0000 | 1 | 4 |
| Pteridine reductase 1 | Leishmania major | IC50 | 1,100.0000 | 1 | 1 |
| Putative alpha-1,2-mannosidase | Bacteroides thetaiotaomicron VPI-5482 | Ki | 9.5000 | 2 | 26 |
| Putative alpha-glucosidase | Oryza sativa Japonica Group (Japanese rice) | IC50 | 0.0400 | 2 | 2 |
| putative polyprotein | | IC50 | 30.5737 | 3 | 3 |
| Pyruvate kinase PKM | Homo sapiens (human) | IC50 | 61.4600 | 5 | 6 |
| Pyruvate kinase PKM | Homo sapiens (human) | Ki | 3.5300 | 1 | 1 |
| Quinolone resistance protein NorA | Staphylococcus aureus | IC50 | 8.5429 | 7 | 7 |
| rac GTPase-activating protein 1 isoform a | Homo sapiens (human) | IC50 | 65.4850 | 1 | 6 |
| RAC-alpha serine/threonine-protein kinase | Homo sapiens (human) | IC50 | 55.6575 | 4 | 4 |
| Receptor protein-tyrosine kinase | Homo sapiens (human) | IC50 | 1.8000 | 1 | 1 |
| Receptor tyrosine-protein kinase erbB-2 | Homo sapiens (human) | IC50 | 3.5400 | 1 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 | Homo sapiens (human) | IC50 | 4.6414 | 5 | 22 |
| Receptor-type tyrosine-protein phosphatase alpha | Homo sapiens (human) | IC50 | 40.0000 | 1 | 2 |
| Receptor-type tyrosine-protein phosphatase C | Homo sapiens (human) | IC50 | 1.0000 | 1 | 1 |
| Receptor-type tyrosine-protein phosphatase epsilon | Homo sapiens (human) | IC50 | 40.0000 | 1 | 2 |
| Receptor-type tyrosine-protein phosphatase eta | Homo sapiens (human) | IC50 | 1.8000 | 1 | 1 |
| Receptor-type tyrosine-protein phosphatase F | Homo sapiens (human) | IC50 | 31.5600 | 6 | 9 |
| Receptor-type tyrosine-protein phosphatase S | Homo sapiens (human) | IC50 | 10.3000 | 1 | 1 |
| Regulatory protein RhlR | Pseudomonas aeruginosa PAO1 | IC50 | 945.0000 | 1 | 1 |
| Renin | Homo sapiens (human) | IC50 | 0.9800 | 1 | 1 |
| Renin | Homo sapiens (human) | Ki | 15.0000 | 1 | 1 |
| Replicase polyprotein 1a | Severe acute respiratory syndrome-related coronavirus | IC50 | 47.2000 | 3 | 5 |
| Replicase polyprotein 1a | Severe acute respiratory syndrome-related coronavirus | Ki | 2.9500 | 1 | 2 |
| Replicase polyprotein 1ab | Betacoronavirus England 1 | IC50 | 14.8909 | 3 | 11 |
| Replicase polyprotein 1ab | Human coronavirus 229E | IC50 | 21.5000 | 2 | 4 |
| Replicase polyprotein 1ab | Severe acute respiratory syndrome coronavirus 2 | IC50 | 17.2755 | 17 | 47 |
| Replicase polyprotein 1ab | Severe acute respiratory syndrome-related coronavirus | IC50 | 45.4143 | 10 | 30 |
| Replicase polyprotein 1ab | Severe acute respiratory syndrome coronavirus 2 | Ki | 10.6000 | 1 | 2 |
| Replicase polyprotein 1ab | Severe acute respiratory syndrome-related coronavirus | Ki | 11.6667 | 2 | 3 |
| Retinal dehydrogenase 1 | Homo sapiens (human) | IC50 | 200.0000 | 1 | 1 |
| Retinal dehydrogenase 2 | Homo sapiens (human) | IC50 | 4.5000 | 1 | 1 |
| retinoic acid receptor alpha isoform 1 | Homo sapiens (human) | IC50 | 25.1000 | 1 | 1 |
| retinoic acid receptor RXR-alpha isoform a | Homo sapiens (human) | IC50 | 5.7400 | 1 | 1 |
| Rev | Human immunodeficiency virus 1 | IC50 | 75.4340 | 1 | 1 |
| Reverse transcriptase/RNaseH | Human immunodeficiency virus 1 | IC50 | 63.8033 | 9 | 12 |
| Rhodopsin | Bos taurus (cattle) | IC50 | 180.0000 | 1 | 1 |
| Riboflavin-binding protein | Gallus gallus (chicken) | Ki | 0.3500 | 1 | 1 |
| Ribonuclease HI | Escherichia coli K-12 | IC50 | 20.0000 | 1 | 2 |
| Ribonuclease pancreatic | Bos taurus (cattle) | IC50 | 300.0000 | 1 | 1 |
| Ribosyldihydronicotinamide dehydrogenase [quinone] | Homo sapiens (human) | IC50 | 1.6820 | 12 | 13 |
| Ribosyldihydronicotinamide dehydrogenase [quinone] | Homo sapiens (human) | Ki | 0.0880 | 1 | 1 |
| RmtA | Aspergillus nidulans | IC50 | 1,220.0000 | 1 | 1 |
| RNA polymerase beta subunit (EC 2.7.7.6), partial | Escherichia coli | IC50 | 12.4362 | 1 | 1 |
| RNA-editing ligase 1, mitochondrial | Trypanosoma brucei brucei | IC50 | 51.3810 | 1 | 1 |
| Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | Oryctolagus cuniculus (rabbit) | IC50 | 18.3925 | 3 | 4 |
| Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | Rattus norvegicus (Norway rat) | IC50 | 28.6500 | 1 | 1 |
| Secreted chorismate mutase | Mycobacterium tuberculosis H37Rv | IC50 | 12.4933 | 2 | 3 |
| Seed linoleate 13S-lipoxygenase-1 | Glycine max (soybean) | IC50 | 19.6812 | 14 | 17 |
| Seed linoleate 13S-lipoxygenase-1 | Glycine max (soybean) | Ki | 67.4500 | 3 | 4 |
| Seed linoleate 9S-lipoxygenase | Glycine max (soybean) | IC50 | 400.0000 | 1 | 1 |
| Sentrin-specific protease 1 | Homo sapiens (human) | IC50 | 1.2932 | 2 | 2 |
| Serine hydrolase RBBP9 | Homo sapiens (human) | IC50 | 7.8000 | 1 | 1 |
| Serine racemase | Homo sapiens (human) | IC50 | 10,000.0000 | 1 | 2 |
| Serine racemase | Mus musculus (house mouse) | IC50 | 94.0000 | 1 | 1 |
| Serine-protein kinase ATM | Homo sapiens (human) | IC50 | 200.0000 | 1 | 1 |
| Serine/threonine-protein kinase ATR | Homo sapiens (human) | IC50 | 1,100.0000 | 1 | 1 |
| Serine/threonine-protein kinase B-raf | Homo sapiens (human) | IC50 | 3.6370 | 2 | 3 |
| Serine/threonine-protein kinase mTOR | Homo sapiens (human) | IC50 | 400.0000 | 1 | 1 |
| Serine/threonine-protein kinase N1 | Homo sapiens (human) | IC50 | 5.8000 | 1 | 1 |
| Serine/threonine-protein kinase Nek2 | Homo sapiens (human) | IC50 | 5.7300 | 1 | 1 |
| Serine/threonine-protein kinase Nek6 | Homo sapiens (human) | IC50 | 4.2300 | 1 | 1 |
| Serine/threonine-protein kinase PAK 1 | Homo sapiens (human) | IC50 | 15.0000 | 1 | 1 |
| Serine/threonine-protein kinase pim-1 | Homo sapiens (human) | IC50 | 2.1383 | 12 | 22 |
| Serine/threonine-protein kinase pim-2 | Homo sapiens (human) | IC50 | 25.0000 | 1 | 1 |
| Serine/threonine-protein kinase PLK1 | Homo sapiens (human) | IC50 | 14.6467 | 6 | 6 |
| Serine/threonine-protein kinase PLK2 | Homo sapiens (human) | IC50 | 164.3600 | 2 | 2 |
| Serine/threonine-protein kinase PLK3 | Homo sapiens (human) | IC50 | 45.0000 | 2 | 2 |
| Serine/threonine-protein kinase PLK4 | Homo sapiens (human) | IC50 | 2.9700 | 1 | 1 |
| Serine/threonine-protein kinase/endoribonuclease IRE1 | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| Sex hormone-binding globulin | Homo sapiens (human) | IC50 | 141.0000 | 1 | 2 |
| Short transient receptor potential channel 5 | Homo sapiens (human) | IC50 | 6.1700 | 1 | 5 |
| Sialidase | Clostridium perfringens | IC50 | 11.6818 | 6 | 17 |
| Sialidase | Clostridium perfringens | Ki | 3.7228 | 3 | 6 |
| Sialidase-2 | Homo sapiens (human) | IC50 | 520.0000 | 1 | 11 |
| Sigma intracellular receptor 2 | Homo sapiens (human) | Ki | 3.4000 | 1 | 1 |
| Sigma non-opioid intracellular receptor 1 | Cavia porcellus (domestic guinea pig) | IC50 | 10.0000 | 1 | 2 |
| Sigma non-opioid intracellular receptor 1 | Homo sapiens (human) | IC50 | 1.0500 | 1 | 2 |
| Sigma non-opioid intracellular receptor 1 | Homo sapiens (human) | Ki | 54.4150 | 2 | 2 |
| signal transducer and activator of transcription 1-alpha/beta isoform alpha | Homo sapiens (human) | IC50 | 55.7000 | 1 | 1 |
| Signal transducer and activator of transcription 3 | Homo sapiens (human) | IC50 | 25.7525 | 3 | 4 |
| Similar to alpha-tubulin isoform 1 | Bos taurus (cattle) | IC50 | 45.9126 | 14 | 27 |
| Small conductance calcium-activated potassium channel protein 3 | Rattus norvegicus (Norway rat) | IC50 | 256.3500 | 1 | 2 |
| Sodium channel protein type 1 subunit alpha | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| Sodium channel protein type 2 subunit alpha | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| Sodium channel protein type 3 subunit alpha | Homo sapiens (human) | IC50 | 20.0000 | 1 | 1 |
| Sodium- and chloride-dependent betaine transporter | Homo sapiens (human) | IC50 | 1,870.0000 | 1 | 1 |
| Sodium- and chloride-dependent betaine transporter | Mus musculus (house mouse) | IC50 | 744.8895 | 2 | 2 |
| Sodium- and chloride-dependent betaine transporter | Rattus norvegicus (Norway rat) | IC50 | 43.3333 | 1 | 3 |
| Sodium- and chloride-dependent creatine transporter 1 | Rattus norvegicus (Norway rat) | IC50 | 1.6000 | 1 | 1 |
| Sodium- and chloride-dependent GABA transporter 1 | Homo sapiens (human) | IC50 | 14.0000 | 2 | 2 |
| Sodium- and chloride-dependent GABA transporter 1 | Mus musculus (house mouse) | IC50 | 15.2447 | 3 | 4 |
| Sodium- and chloride-dependent GABA transporter 1 | Rattus norvegicus (Norway rat) | IC50 | 9.5253 | 5 | 17 |
| Sodium- and chloride-dependent GABA transporter 2 | Homo sapiens (human) | IC50 | 66.0000 | 1 | 1 |
| Sodium- and chloride-dependent GABA transporter 2 | Mus musculus (house mouse) | IC50 | 49.0520 | 2 | 2 |
| Sodium- and chloride-dependent GABA transporter 2 | Rattus norvegicus (Norway rat) | IC50 | 47.0000 | 2 | 4 |
| Sodium- and chloride-dependent GABA transporter 3 | Homo sapiens (human) | IC50 | 114.5000 | 2 | 2 |
| Sodium- and chloride-dependent GABA transporter 3 | Mus musculus (house mouse) | IC50 | 70.2520 | 2 | 2 |
| Sodium- and chloride-dependent GABA transporter 3 | Rattus norvegicus (Norway rat) | IC50 | 43.3333 | 1 | 3 |
| Sodium-dependent dopamine transporter | Mus musculus (house mouse) | IC50 | 0.2000 | 1 | 1 |
| Sodium-dependent dopamine transporter | Rattus norvegicus (Norway rat) | IC50 | 1.6238 | 48 | 68 |
| Sodium-dependent dopamine transporter | Mus musculus (house mouse) | Ki | 0.8500 | 1 | 1 |
| Sodium-dependent dopamine transporter | Rattus norvegicus (Norway rat) | Ki | 25.2461 | 26 | 41 |
| Sodium-dependent dopamine transporter | Homo sapiens (human) | IC50 | 1.6340 | 36 | 37 |
| Sodium-dependent dopamine transporter | Homo sapiens (human) | Ki | 1.2108 | 31 | 35 |
| Sodium-dependent noradrenaline transporter | Homo sapiens (human) | IC50 | 9.2427 | 24 | 25 |
| Sodium-dependent noradrenaline transporter | Homo sapiens (human) | Ki | 1.6021 | 31 | 34 |
| Sodium-dependent serotonin transporter | Homo sapiens (human) | IC50 | 8.8548 | 24 | 24 |
| Sodium-dependent serotonin transporter | Rattus norvegicus (Norway rat) | IC50 | 0.8694 | 17 | 20 |
| Sodium-dependent serotonin transporter | Homo sapiens (human) | Ki | 0.3792 | 31 | 34 |
| Sodium-dependent serotonin transporter | Rattus norvegicus (Norway rat) | Ki | 0.5324 | 19 | 28 |
| Sodium/glucose cotransporter 1 | Homo sapiens (human) | IC50 | 16.2229 | 13 | 16 |
| Sodium/glucose cotransporter 1 | Homo sapiens (human) | Ki | 43.0900 | 1 | 2 |
| Sodium/glucose cotransporter 1 | Rattus norvegicus (Norway rat) | IC50 | 0.3500 | 1 | 1 |
| Sodium/glucose cotransporter 2 | Homo sapiens (human) | IC50 | 9.8151 | 13 | 16 |
| Sodium/glucose cotransporter 2 | Rattus norvegicus (Norway rat) | IC50 | 0.0960 | 1 | 1 |
| Sodium/glucose cotransporter 2 | Homo sapiens (human) | Ki | 0.0186 | 1 | 1 |
| Sodium/hydrogen exchanger 9B2 | Homo sapiens (human) | IC50 | 90.0000 | 1 | 1 |
| Sodium/nucleoside cotransporter 1 | Homo sapiens (human) | IC50 | 250.0000 | 1 | 1 |
| Sodium/nucleoside cotransporter 2 | Homo sapiens (human) | IC50 | 550.0000 | 2 | 2 |
| Sodium/potassium-transporting ATPase subunit alpha-1 | Homo sapiens (human) | IC50 | 6.0000 | 1 | 1 |
| Sodium/potassium-transporting ATPase subunit alpha-1 | Rattus norvegicus (Norway rat) | IC50 | 4.3000 | 1 | 1 |
| Sodium/potassium-transporting ATPase subunit alpha-1 | Homo sapiens (human) | Ki | 0.1140 | 1 | 4 |
| Sodium/potassium-transporting ATPase subunit alpha-2 | Homo sapiens (human) | IC50 | 6.0000 | 1 | 1 |
| Sodium/potassium-transporting ATPase subunit alpha-2 | Rattus norvegicus (Norway rat) | IC50 | 0.1700 | 1 | 1 |
| Sodium/potassium-transporting ATPase subunit alpha-2 | Homo sapiens (human) | Ki | 0.1140 | 1 | 4 |
| Sodium/potassium-transporting ATPase subunit alpha-3 | Homo sapiens (human) | IC50 | 6.0000 | 1 | 1 |
| Sodium/potassium-transporting ATPase subunit alpha-3 | Rattus norvegicus (Norway rat) | IC50 | 0.0310 | 1 | 1 |
| Sodium/potassium-transporting ATPase subunit alpha-4 | Homo sapiens (human) | IC50 | 6.0000 | 1 | 1 |
| Sodium/potassium-transporting ATPase subunit alpha-4 | Rattus norvegicus (Norway rat) | IC50 | 0.0030 | 2 | 2 |
| Sodium/potassium-transporting ATPase subunit beta-1 | Homo sapiens (human) | IC50 | 6.0000 | 1 | 1 |
| Sodium/potassium-transporting ATPase subunit beta-1 | Homo sapiens (human) | Ki | 0.1140 | 1 | 4 |
| Sodium/potassium-transporting ATPase subunit beta-1 | Rattus norvegicus (Norway rat) | IC50 | 1.1263 | 4 | 4 |
| Sodium/potassium-transporting ATPase subunit beta-2 | Homo sapiens (human) | IC50 | 6.0000 | 1 | 1 |
| Sodium/potassium-transporting ATPase subunit beta-3 | Homo sapiens (human) | IC50 | 6.0000 | 1 | 1 |
| Sodium/potassium-transporting ATPase subunit beta-3 | Rattus norvegicus (Norway rat) | IC50 | 0.0018 | 1 | 1 |
| Sodium/potassium-transporting ATPase subunit gamma | Homo sapiens (human) | IC50 | 6.0000 | 1 | 1 |
| Soluble acetylcholine receptor | Aplysia californica (California sea hare) | Ki | 1.0466 | 3 | 3 |
| Solute carrier family 15 member 1 | Homo sapiens (human) | IC50 | 141,200.0000 | 1 | 1 |
| Solute carrier family 15 member 1 | Homo sapiens (human) | Ki | 790.0000 | 1 | 1 |
| Solute carrier family 15 member 1 | Rattus norvegicus (Norway rat) | Ki | 2,200.0000 | 1 | 1 |
| Solute carrier family 15 member 2 | Homo sapiens (human) | Ki | 229.5435 | 1 | 2 |
| Solute carrier family 15 member 2 | Rattus norvegicus (Norway rat) | Ki | 230.0000 | 1 | 1 |
| Solute carrier family 2, facilitated glucose transporter member 1 | Homo sapiens (human) | IC50 | 8.5027 | 3 | 3 |
| Solute carrier family 2, facilitated glucose transporter member 1 | Homo sapiens (human) | Ki | 7.0000 | 3 | 3 |
| Solute carrier family 2, facilitated glucose transporter member 2 | Homo sapiens (human) | IC50 | 12.0000 | 2 | 4 |
| Solute carrier family 2, facilitated glucose transporter member 4 | Mus musculus (house mouse) | IC50 | 20.0000 | 1 | 1 |
| Solute carrier family 2, facilitated glucose transporter member 4 | Mus musculus (house mouse) | Ki | 60.0000 | 1 | 1 |
| Solute carrier family 2, facilitated glucose transporter member 4 | Rattus norvegicus (Norway rat) | Ki | 24.7500 | 1 | 2 |
| Solute carrier family 22 member 1 | Mus musculus (house mouse) | IC50 | 55.0000 | 1 | 1 |
| Solute carrier family 22 member 1 | Rattus norvegicus (Norway rat) | IC50 | 925.0000 | 2 | 2 |
| Solute carrier family 22 member 1 | Rattus norvegicus (Norway rat) | Ki | 42.1500 | 2 | 2 |
| Solute carrier family 22 member 1 | Homo sapiens (human) | IC50 | 49.8950 | 2 | 2 |
| Solute carrier family 22 member 2 | Homo sapiens (human) | IC50 | 2.6000 | 1 | 1 |
| Solute carrier family 22 member 2 | Mus musculus (house mouse) | IC50 | 217.0000 | 1 | 1 |
| Solute carrier family 22 member 2 | Rattus norvegicus (Norway rat) | IC50 | 804.5000 | 2 | 2 |
| Solute carrier family 22 member 2 | Rattus norvegicus (Norway rat) | Ki | 50.5000 | 1 | 1 |
| Solute carrier family 22 member 20 | Mus musculus (house mouse) | Ki | 21.4363 | 1 | 10 |
| Solute carrier family 22 member 4 | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| Solute carrier family 22 member 6 | Homo sapiens (human) | IC50 | 140.1350 | 2 | 2 |
| Solute carrier family 22 member 6 | Mus musculus (house mouse) | Ki | 558.1412 | 1 | 10 |
| Solute carrier family 22 member 6 | Rattus norvegicus (Norway rat) | Ki | 670.5000 | 2 | 2 |
| Solute carrier family 22 member 8 | Homo sapiens (human) | Ki | 1,020.0000 | 1 | 1 |
| Solute carrier family 23 member 1 | Homo sapiens (human) | IC50 | 156.0000 | 1 | 1 |
| Solute carrier family 28 member 3 | Homo sapiens (human) | Ki | 69.6560 | 1 | 5 |
| Solute carrier family 5 member 4 | Homo sapiens (human) | IC50 | 0.0160 | 1 | 1 |
| Solute carrier organic anion transporter family member 1B1 | Homo sapiens (human) | IC50 | 10.7880 | 3 | 8 |
| Solute carrier organic anion transporter family member 1B1 | Homo sapiens (human) | Ki | 9.5871 | 3 | 7 |
| Solute carrier organic anion transporter family member 1B2 | Rattus norvegicus (Norway rat) | Ki | 6.1000 | 1 | 1 |
| Solute carrier organic anion transporter family member 1B3 | Homo sapiens (human) | IC50 | 8.3880 | 4 | 9 |
| Solute carrier organic anion transporter family member 1B3 | Homo sapiens (human) | Ki | 6.2875 | 4 | 8 |
| Solute carrier organic anion transporter family member 2B1 | Homo sapiens (human) | IC50 | 4.5000 | 1 | 1 |
| Solute carrier organic anion transporter family member 4C1 | Homo sapiens (human) | IC50 | 0.4900 | 1 | 1 |
| Somatostatin receptor type 1 | Homo sapiens (human) | IC50 | 0.0022 | 1 | 1 |
| Somatostatin receptor type 2 | Homo sapiens (human) | IC50 | 0.0022 | 1 | 1 |
| Somatostatin receptor type 3 | Homo sapiens (human) | IC50 | 0.0022 | 1 | 1 |
| Somatostatin receptor type 4 | Homo sapiens (human) | IC50 | 0.0022 | 1 | 1 |
| Somatostatin receptor type 5 | Homo sapiens (human) | IC50 | 0.0022 | 1 | 1 |
| Sorbitol dehydrogenase | Homo sapiens (human) | IC50 | 171.7857 | 3 | 7 |
| Sphingomyelin phosphodiesterase | Bos taurus (cattle) | IC50 | 14.1000 | 1 | 1 |
| Sphingomyelin phosphodiesterase | Homo sapiens (human) | IC50 | 19.4200 | 2 | 2 |
| Spike glycoprotein | Betacoronavirus England 1 | IC50 | 14.4333 | 1 | 3 |
| Spike glycoprotein | Severe acute respiratory syndrome coronavirus 2 | IC50 | 200.0000 | 1 | 1 |
| Spike glycoprotein | Severe acute respiratory syndrome-related coronavirus | IC50 | 14.4333 | 1 | 3 |
| Squalene monooxygenase | Rattus norvegicus (Norway rat) | IC50 | 10.2512 | 3 | 8 |
| Squalene synthase | Rattus norvegicus (Norway rat) | IC50 | 50.0000 | 1 | 1 |
| STAT3, partial | Homo sapiens (human) | IC50 | 1.1540 | 1 | 1 |
| Steroid 17-alpha-hydroxylase/17,20 lyase | Rattus norvegicus (Norway rat) | Ki | 124.0000 | 1 | 1 |
| Steroid hormone receptor ERR1 | Homo sapiens (human) | IC50 | 4.8250 | 2 | 2 |
| Steroid hormone receptor ERR2 | Homo sapiens (human) | IC50 | 0.3950 | 1 | 1 |
| steroidogenic factor 1 | Homo sapiens (human) | IC50 | 67.5660 | 1 | 6 |
| Sterol O-acyltransferase 1 | Homo sapiens (human) | IC50 | 691.3333 | 2 | 6 |
| Sterol O-acyltransferase 1 | Rattus norvegicus (Norway rat) | IC50 | 558.5000 | 2 | 4 |
| Sterol O-acyltransferase 2 | Homo sapiens (human) | IC50 | 41.6000 | 1 | 1 |
| Stimulator of interferon genes protein | Homo sapiens (human) | IC50 | 137.0000 | 1 | 1 |
| Stromal cell-derived factor 1 | Homo sapiens (human) | IC50 | 15.0000 | 1 | 1 |
| Stromelysin-1 | Homo sapiens (human) | IC50 | 155.4425 | 3 | 4 |
| Substance-K receptor | Cavia porcellus (domestic guinea pig) | IC50 | 65.6600 | 1 | 15 |
| Substance-P receptor | Cavia porcellus (domestic guinea pig) | IC50 | 138.0500 | 2 | 18 |
| Succinate-semialdehyde dehydrogenase, mitochondrial | Homo sapiens (human) | IC50 | 600.9000 | 1 | 7 |
| Sucrase-isomaltase, intestinal | Homo sapiens (human) | IC50 | 41.9625 | 6 | 8 |
| Sucrase-isomaltase, intestinal | Rattus norvegicus (Norway rat) | IC50 | 110.3178 | 19 | 23 |
| Sucrase-isomaltase, intestinal | Homo sapiens (human) | Ki | 4.3500 | 1 | 2 |
| SUMO-1 | Homo sapiens (human) | IC50 | 40.6500 | 2 | 2 |
| SUMO-activating enzyme subunit 1 | Homo sapiens (human) | IC50 | 2.2000 | 1 | 1 |
| SUMO-conjugating enzyme UBC9 | Homo sapiens (human) | IC50 | 11.2000 | 2 | 2 |
| SUMO1 activating enzyme subunit 1 | Homo sapiens (human) | IC50 | 11.2000 | 2 | 2 |
| Synapsin-1 | Bos taurus (cattle) | IC50 | 0.1500 | 1 | 1 |
| Synaptic vesicular amine transporter | Homo sapiens (human) | IC50 | 0.0147 | 3 | 3 |
| Synaptic vesicular amine transporter | Rattus norvegicus (Norway rat) | IC50 | 0.0177 | 1 | 10 |
| Synaptic vesicular amine transporter | Bos taurus (cattle) | Ki | 0.0010 | 1 | 1 |
| Synaptic vesicular amine transporter | Homo sapiens (human) | Ki | 0.3484 | 3 | 3 |
| Synaptojanin-1 | Homo sapiens (human) | IC50 | 15.9000 | 2 | 4 |
| Synaptojanin-2 | Homo sapiens (human) | IC50 | 8.3870 | 3 | 6 |
| Taste receptor type 2 member 31 | Homo sapiens (human) | IC50 | 3.6000 | 1 | 1 |
| Tat | Human immunodeficiency virus 1 | IC50 | 8.3727 | 1 | 3 |
| TCRAV4S1, partial | Homo sapiens (human) | IC50 | 94.2660 | 1 | 1 |
| Telomerase reverse transcriptase | Homo sapiens (human) | IC50 | 41.4956 | 8 | 9 |
| Testosterone 17-beta-dehydrogenase 3 | Homo sapiens (human) | IC50 | 296.8771 | 2 | 7 |
| Thermolysin | Bacillus thermoproteolyticus | IC50 | 61.0000 | 1 | 1 |
| Thiopurine S-methyltransferase | Homo sapiens (human) | IC50 | 1,129.5188 | 1 | 6 |
| Thioredoxin reductase 1, cytoplasmic | Homo sapiens (human) | IC50 | 124.5333 | 3 | 3 |
| Thioredoxin reductase 1, cytoplasmic | Rattus norvegicus (Norway rat) | IC50 | 191.3333 | 1 | 3 |
| Thioredoxin reductase 2, mitochondrial | Homo sapiens (human) | IC50 | 124.5333 | 3 | 3 |
| Thioredoxin reductase 2, mitochondrial | Rattus norvegicus (Norway rat) | IC50 | 193.6667 | 1 | 3 |
| Thioredoxin reductase 3 | Homo sapiens (human) | IC50 | 124.5333 | 3 | 3 |
| Thiosulfate sulfurtransferase | Homo sapiens (human) | IC50 | 30.4071 | 1 | 7 |
| Thromboxane-A synthase | Homo sapiens (human) | IC50 | 7.7200 | 1 | 1 |
| Tissue alpha-L-fucosidase | Bos taurus (cattle) | IC50 | 39.3333 | 1 | 3 |
| Tissue factor | Homo sapiens (human) | IC50 | 30.2010 | 2 | 5 |
| Tissue-type plasminogen activator | Homo sapiens (human) | IC50 | 3.3455 | 1 | 2 |
| Toll-like receptor 2 | Homo sapiens (human) | IC50 | 5.0000 | 1 | 1 |
| Toll-like receptor 2 | Mus musculus (house mouse) | IC50 | 80.3867 | 1 | 3 |
| TPA: protein transporter TIM10 | Saccharomyces cerevisiae S288C | IC50 | 67.7500 | 2 | 2 |
| TPA: protein transporter TIM23 | Saccharomyces cerevisiae S288C | IC50 | 8.5600 | 1 | 1 |
| transactivating tegument protein VP16 [Human herpesvirus 1] | Human alphaherpesvirus 1 (Herpes simplex virus type 1) | IC50 | 4.3740 | 1 | 1 |
| Transcription factor 7-like 2 | Homo sapiens (human) | Ki | 387.2000 | 1 | 1 |
| Transcription factor AP-1 | Homo sapiens (human) | IC50 | 5.4160 | 3 | 3 |
| Transcription factor GATA-4 | Mus musculus (house mouse) | IC50 | 22.0000 | 1 | 1 |
| Transcription factor MafK | Homo sapiens (human) | IC50 | 15.8489 | 1 | 1 |
| Transcription factor p65 | Homo sapiens (human) | IC50 | 13.0963 | 6 | 15 |
| Transcription intermediary factor 1-alpha | Homo sapiens (human) | IC50 | 0.1916 | 1 | 2 |
| Transcription regulator protein BACH1 | Homo sapiens (human) | IC50 | 15.8489 | 1 | 1 |
| Transcriptional activator Myb | Gallus gallus (chicken) | IC50 | 15.0836 | 1 | 6 |
| Transient receptor potential cation channel subfamily A member 1 | Homo sapiens (human) | IC50 | 18.4375 | 3 | 4 |
| Transient receptor potential cation channel subfamily A member 1 | Rattus norvegicus (Norway rat) | IC50 | 38.9117 | 7 | 12 |
| Transient receptor potential cation channel subfamily M member 8 | Homo sapiens (human) | IC50 | 0.1600 | 1 | 1 |
| Transient receptor potential cation channel subfamily M member 8 | Mus musculus (house mouse) | IC50 | 8.0000 | 2 | 2 |
| Transient receptor potential cation channel subfamily M member 8 | Rattus norvegicus (Norway rat) | IC50 | 71.8514 | 3 | 7 |
| Transient receptor potential cation channel subfamily V member 1 | Homo sapiens (human) | IC50 | 51.9083 | 8 | 12 |
| Transient receptor potential cation channel subfamily V member 2 | Homo sapiens (human) | IC50 | 1.5000 | 1 | 1 |
| Transient receptor potential cation channel subfamily V member 2 | Rattus norvegicus (Norway rat) | IC50 | 6.2142 | 4 | 12 |
| Transient receptor potential cation channel subfamily V member 3 | Homo sapiens (human) | IC50 | 66.0000 | 1 | 1 |
| Transient receptor potential cation channel subfamily V member 4 | Homo sapiens (human) | IC50 | 1.3000 | 1 | 1 |
| Transient receptor potential cation channel subfamily V member 4 | Rattus norvegicus (Norway rat) | IC50 | 5.9000 | 1 | 1 |
| Translin-associated protein X | Homo sapiens (human) | IC50 | 3.5000 | 1 | 1 |
| Translocator protein | Rattus norvegicus (Norway rat) | IC50 | 12.3880 | 1 | 1 |
| Translocator protein | Rattus norvegicus (Norway rat) | Ki | 4.2125 | 3 | 6 |
| Transmembrane protease serine 2 | Homo sapiens (human) | IC50 | 14.4333 | 1 | 3 |
| Transporter | Rattus norvegicus (Norway rat) | IC50 | 3.0541 | 14 | 16 |
| Transporter | Rattus norvegicus (Norway rat) | Ki | 2.5294 | 16 | 19 |
| Transthyretin | Homo sapiens (human) | IC50 | 54.7455 | 3 | 11 |
| Trehalase | Homo sapiens (human) | IC50 | 40.0000 | 1 | 1 |
| Trehalase | Rattus norvegicus (Norway rat) | IC50 | 38.2500 | 3 | 4 |
| Trehalase | Sus scrofa (pig) | IC50 | 41.0000 | 2 | 2 |
| Trehalose synthase/amylase TreS | Mycobacterium tuberculosis CDC1551 | Ki | 0.2500 | 1 | 1 |
| Triosephosphate isomerase | Oryctolagus cuniculus (rabbit) | Ki | 45.8667 | 1 | 3 |
| Trypsin | Sus scrofa (pig) | IC50 | 200.0000 | 1 | 3 |
| Trypsin-1 | Homo sapiens (human) | IC50 | 246.8200 | 2 | 5 |
| Trypsin-1 | Homo sapiens (human) | Ki | 299,916.0000 | 1 | 1 |
| Trypsin-2 | Homo sapiens (human) | IC50 | 246.8200 | 2 | 5 |
| Trypsin-3 | Homo sapiens (human) | IC50 | 246.8200 | 2 | 5 |
| Tryptophan 2,3-dioxygenase | Homo sapiens (human) | IC50 | 6.3100 | 1 | 1 |
| Tryptophan 2,3-dioxygenase | Mus musculus (house mouse) | IC50 | 80.0000 | 1 | 1 |
| Tryptophan 2,3-dioxygenase | Homo sapiens (human) | Ki | 11,500.0000 | 1 | 1 |
| Tryptophan 5-hydroxylase 1 | Rattus norvegicus (Norway rat) | Ki | 0.4900 | 1 | 1 |
| Tubulin alpha-1A chain | Homo sapiens (human) | IC50 | 37.7300 | 13 | 16 |
| Tubulin alpha-1A chain | Sus scrofa (pig) | IC50 | 0.6733 | 12 | 12 |
| Tubulin alpha-1A chain | Sus scrofa (pig) | Ki | 2.1800 | 1 | 1 |
| Tubulin alpha-1B chain | Homo sapiens (human) | IC50 | 37.7300 | 13 | 16 |
| Tubulin alpha-1C chain | Homo sapiens (human) | IC50 | 37.7300 | 13 | 16 |
| Tubulin alpha-3C chain | Homo sapiens (human) | IC50 | 37.7300 | 13 | 16 |
| Tubulin alpha-3E chain | Homo sapiens (human) | IC50 | 37.7300 | 13 | 16 |
| Tubulin alpha-4A chain | Homo sapiens (human) | IC50 | 37.7300 | 13 | 16 |
| Tubulin beta chain | Homo sapiens (human) | IC50 | 37.7300 | 13 | 16 |
| Tubulin beta chain | Sus scrofa (pig) | IC50 | 0.6220 | 10 | 10 |
| Tubulin beta chain | Sus scrofa (pig) | Ki | 2.1800 | 1 | 1 |
| Tubulin beta-1 chain | Homo sapiens (human) | IC50 | 37.7300 | 13 | 16 |
| Tubulin beta-2A chain | Homo sapiens (human) | IC50 | 37.7300 | 13 | 16 |
| Tubulin beta-2B chain | Bos taurus (cattle) | IC50 | 36.6524 | 17 | 17 |
| Tubulin beta-2B chain | Homo sapiens (human) | IC50 | 37.7300 | 13 | 16 |
| Tubulin beta-3 chain | Homo sapiens (human) | IC50 | 37.7300 | 13 | 16 |
| Tubulin beta-4A chain | Homo sapiens (human) | IC50 | 37.7300 | 13 | 16 |
| Tubulin beta-4B chain | Homo sapiens (human) | IC50 | 37.7300 | 13 | 16 |
| Tubulin beta-6 chain | Homo sapiens (human) | IC50 | 37.7300 | 13 | 16 |
| Tubulin beta-8 chain | Homo sapiens (human) | IC50 | 37.7300 | 13 | 16 |
| type-1 angiotensin II receptor | Homo sapiens (human) | IC50 | 18.6390 | 1 | 1 |
| Type-1 angiotensin II receptor | Oryctolagus cuniculus (rabbit) | IC50 | 64.6250 | 1 | 4 |
| Type-2 restriction enzyme BamHI | Bacillus amyloliquefaciens | IC50 | 300.0000 | 1 | 1 |
| Type-2 restriction enzyme EcoRI | Escherichia coli | IC50 | 300.0000 | 1 | 1 |
| Type-2 restriction enzyme HindIII | Haemophilus influenzae Rd KW20 | IC50 | 300.0000 | 1 | 1 |
| Type-2 restriction enzyme PstI | Providencia stuartii | IC50 | 300.0000 | 1 | 1 |
| Type-2 restriction enzyme ScaI | Streptomyces caespitosus | IC50 | 300.0000 | 1 | 1 |
| Tyrosinase | Homo sapiens (human) | IC50 | 1,803.4993 | 24 | 35 |
| Tyrosinase | Mus musculus (house mouse) | IC50 | 444.9445 | 7 | 11 |
| Tyrosinase | Homo sapiens (human) | Ki | 265.1500 | 2 | 2 |
| Tyrosinase | Mus musculus (house mouse) | Ki | 2,900.0000 | 1 | 1 |
| Tyrosine-protein kinase ABL1 | Homo sapiens (human) | IC50 | 37.5455 | 4 | 11 |
| Tyrosine-protein kinase ABL2 | Homo sapiens (human) | IC50 | 10.0000 | 1 | 1 |
| Tyrosine-protein kinase CSK | Homo sapiens (human) | IC50 | 50.7143 | 1 | 7 |
| Tyrosine-protein kinase Fgr | Rattus norvegicus (Norway rat) | IC50 | 3.5000 | 1 | 1 |
| Tyrosine-protein kinase Fyn | Homo sapiens (human) | IC50 | 27.3654 | 8 | 10 |
| Tyrosine-protein kinase Fyn | Homo sapiens (human) | Ki | 8.8500 | 2 | 2 |
| Tyrosine-protein kinase JAK3 | Homo sapiens (human) | IC50 | 1.8000 | 1 | 1 |
| Tyrosine-protein kinase Lck | Homo sapiens (human) | IC50 | 39.2229 | 8 | 10 |
| Tyrosine-protein kinase Lyn | Rattus norvegicus (Norway rat) | IC50 | 7.5000 | 1 | 1 |
| Tyrosine-protein kinase receptor UFO | Homo sapiens (human) | IC50 | 0.9600 | 1 | 1 |
| Tyrosine-protein kinase SYK | Homo sapiens (human) | IC50 | 100.0500 | 4 | 8 |
| Tyrosine-protein kinase transforming protein Fps | Fujinami sarcoma virus | Ki | 1.8000 | 1 | 1 |
| Tyrosine-protein kinase Yes | Homo sapiens (human) | IC50 | 7.3000 | 1 | 2 |
| Tyrosine-protein kinase Yes | Homo sapiens (human) | Ki | 3.2073 | 1 | 3 |
| Tyrosine-protein phosphatase non-receptor type 1 | Homo sapiens (human) | IC50 | 43.4691 | 96 | 131 |
| Tyrosine-protein phosphatase non-receptor type 1 | Homo sapiens (human) | Ki | 2,514.5636 | 8 | 11 |
| Tyrosine-protein phosphatase non-receptor type 11 | Homo sapiens (human) | IC50 | 28.1357 | 6 | 7 |
| Tyrosine-protein phosphatase non-receptor type 12 | Homo sapiens (human) | IC50 | 100.0000 | 1 | 1 |
| Tyrosine-protein phosphatase non-receptor type 2 | Homo sapiens (human) | IC50 | 13.6465 | 22 | 26 |
| Tyrosine-protein phosphatase non-receptor type 22 | Homo sapiens (human) | IC50 | 14.9700 | 1 | 1 |
| Tyrosine-protein phosphatase non-receptor type 6 | Homo sapiens (human) | IC50 | 37.8538 | 6 | 8 |
| Tyrosine-protein phosphatase non-receptor type 7 | Homo sapiens (human) | IC50 | 200.0000 | 2 | 2 |
| Tyrosine-protein phosphatase YopH | Yersinia pseudotuberculosis IP 32953 | Ki | 1,000.0000 | 1 | 1 |
| Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens (human) | IC50 | 105.5000 | 2 | 2 |
| tyrosyl-DNA phosphodiesterase 2 | Homo sapiens (human) | IC50 | 80.1007 | 3 | 3 |
| Ubiquitin carboxyl-terminal hydrolase 47 | Homo sapiens (human) | IC50 | 26.0000 | 1 | 1 |
| Ubiquitin carboxyl-terminal hydrolase 7 | Homo sapiens (human) | IC50 | 7.0000 | 1 | 1 |
| Ubiquitin-like domain-containing CTD phosphatase 1 | Homo sapiens (human) | IC50 | 66,000.0000 | 1 | 1 |
| Ubiquitin-like modifier activating enzyme 2 | Homo sapiens (human) | IC50 | 11.2000 | 2 | 2 |
| UDP-glucuronosyltransferase 1-6 | Homo sapiens (human) | IC50 | 300.0000 | 1 | 5 |
| UDP-glucuronosyltransferase 1A1 | Homo sapiens (human) | IC50 | 133.3308 | 3 | 13 |
| UDP-glucuronosyltransferase 1A4 | Homo sapiens (human) | IC50 | 300.0000 | 1 | 5 |
| UDP-glucuronosyltransferase 2B10 | Homo sapiens (human) | IC50 | 300.0000 | 1 | 5 |
| UDP-glucuronosyltransferase 2B7 | Homo sapiens (human) | IC50 | 300.0000 | 1 | 5 |
| UDP-N-acetylglucosamine 1-carboxyvinyltransferase | Escherichia coli K-12 | IC50 | 50.0000 | 1 | 1 |
| UDP-N-acetylglucosamine 1-carboxyvinyltransferase | Pseudomonas aeruginosa PAO1 | IC50 | 50.0000 | 1 | 1 |
| Ultraspiracle | Nezara viridula (southern green stink bug) | IC50 | 2.8490 | 3 | 3 |
| Ultraspiracle | Nezara viridula (southern green stink bug) | Ki | 2.7500 | 2 | 2 |
| Ultraspiracle | Leptinotarsa decemlineata (Colorado potato beetle) | IC50 | 0.4365 | 1 | 1 |
| Ultraspiracle protein | Spodoptera frugiperda (fall armyworm) | IC50 | 0.1660 | 1 | 1 |
| unnamed protein product | Aspergillus oryzae RIB40 | IC50 | 52.7195 | 2 | 2 |
| Uracil nucleotide/cysteinyl leukotriene receptor | Homo sapiens (human) | IC50 | 30.0000 | 1 | 1 |
| Urease | Canavalia ensiformis (jack bean) | IC50 | 73.5100 | 2 | 2 |
| Urease subunit alpha | Helicobacter pylori 26695 | IC50 | 1,003.3800 | 3 | 10 |
| Urease subunit alpha | Helicobacter pylori 26695 | Ki | 9.3400 | 1 | 1 |
| Urease subunit beta | Helicobacter pylori 26695 | IC50 | 1,003.3800 | 3 | 10 |
| Urease subunit beta | Helicobacter pylori 26695 | Ki | 9.3400 | 1 | 1 |
| Urokinase-type plasminogen activator | Homo sapiens (human) | IC50 | 19.1130 | 3 | 7 |
| Urokinase-type plasminogen activator | Mus musculus (house mouse) | IC50 | 3.3455 | 1 | 2 |
| Valosin-containing protein | Homo sapiens (human) | IC50 | 36.3280 | 2 | 3 |
| Vascular endothelial growth factor receptor 1 | Homo sapiens (human) | IC50 | 0.5900 | 1 | 1 |
| Vascular endothelial growth factor receptor 2 | Homo sapiens (human) | IC50 | 0.8300 | 4 | 4 |
| Vascular endothelial growth factor receptor 3 | Homo sapiens (human) | IC50 | 1.0650 | 2 | 2 |
| Vasopressin V2 receptor | Homo sapiens (human) | IC50 | 20.3282 | 3 | 6 |
| Vif | Human immunodeficiency virus 1 | IC50 | 6.9700 | 1 | 4 |
| Voltage-dependent calcium channel subunit alpha-2/delta-1 | Mus musculus (house mouse) | Ki | 0.9786 | 1 | 2 |
| Voltage-dependent T-type calcium channel subunit alpha-1G | Homo sapiens (human) | IC50 | 1.0000 | 1 | 2 |
| Voltage-dependent T-type calcium channel subunit alpha-1H | Homo sapiens (human) | IC50 | 1.0000 | 1 | 2 |
| Xanthine dehydrogenase/oxidase | Bos taurus (cattle) | IC50 | 39.2852 | 10 | 24 |
| Xanthine dehydrogenase/oxidase | Homo sapiens (human) | IC50 | 154.3655 | 12 | 42 |
| Xanthine dehydrogenase/oxidase | Bos taurus (cattle) | Ki | 33,334.3667 | 2 | 3 |
| Xanthine dehydrogenase/oxidase | Homo sapiens (human) | Ki | 32.3533 | 3 | 3 |
| XBP1 | Homo sapiens (human) | IC50 | 4.0700 | 1 | 2 |
| Zinc finger protein GLI1 | Homo sapiens (human) | IC50 | 31.0200 | 2 | 5 |
| Zinc finger protein GLI2 | Homo sapiens (human) | IC50 | 0.9100 | 1 | 1 |
| Zn finger protein | Nicotiana tabacum (common tobacco) | Ki | 0.4270 | 1 | 2 |