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2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid is a quinolinemonocarboxylic acid that is quinoline-3-carboxylic acid which is substituted by a 4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl group at position 2. | It is a quinolinemonocarboxylic acid, an imidazolone and a monocarboxylic acid. | 0 |
N-{5-carbamimidamido-1-[(naphthalen-2-yl)amino]-1-oxopentan-2-yl}benzamide is a member of the class of N-(2-naphthyl)carboxamides that is 5-carbamimidamido-N-(naphthalen-2-yl)pentanamide in which one of the hydrogens at position 2 has been replaced by a benzamido group. | It is a member of benzamides, a N-(2-naphthyl)carboxamide and an arginine derivative. | 0 |
It is functionally related to an adenine. | It has a role as a plant metabolite and a cytokinin. | 0 |
N-butyrylbenzamide is a N-acylamide. | It is functionally related to a benzamide. | 0 |
11-deoxycortisol is a deoxycortisol that is cortisol in which the hydroxy group at position 11 has been replaced by a hydrogen. | It is a glucocorticoid, a primary alpha-hydroxy ketone, a tertiary alpha-hydroxy ketone and a deoxycortisol. | 0 |
It has a role as a crustacean metabolite and an antioxidant. | It is a conjugate base of a carcininium. | 0 |
It is functionally related to a pyridine. | It is a nitrile and a member of pyridines. | 0 |
Alpha-ergocryptine is ergotaman bearing hydroxy, isopropyl, and 2-methylpropyl groups at the 12', 2' and 5' positions, respectively, and oxo groups at positions 3', 6', and 18. | It derives from a hydride of an ergotaman. | 0 |
It is a conjugate acid of a 5,6-dihydroxyindole-2-carboxylate. | 5,6-dihydroxyindole-2-carboxylic acid is a dihydroxyindole that is indole-2-carboxylic acid substituted by hydroxy groups at positions 5 and 6. | 0 |
It is a member of benzoic acids, a dimethoxybenzene and a member of phenols. | It is a conjugate acid of a syringate. | 0 |
It is functionally related to an ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate. | Ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate is an amino acid ester that is the ethyl ester of cyclohex-3-ene-1-carboxylic acid in which the cyclohexane ring is substituted at positions 1 and 2 by phenyl and dimethylamino groups, respectively. | 0 |
It is functionally related to a betamethasone. | It is a steroid ester, an 11beta-hydroxy steroid, a 20-oxo steroid, a fluorinated steroid, a propanoate ester and a 3-oxo-Delta(1),Delta(4)-steroid. | 0 |
It has a role as an antifungal agent, a lichen metabolite and an acaricide. | Usnic acid is a member of the class of dibenzofurans that is dibenzo[b,d]furan-1(9bH)-one substituted by acetyl groups at positions 2 and 6, hydroxy groups at positions 3 and 7 and methyl groups at positions 8 and 9b. | 0 |
Xanthoaphin is the product from the treatment of protoaphin aglucone with protoaphin dehydratase (EC 4.2.1.73). | It is a conjugate acid of a xanthoaphin(1-). | 0 |
It is an enantiomer of a (S)-(-)-citronellal. | (R)-(+)-citronellal is the (3R)-stereoisomer of 3,7-dimethyloct-6-enal (citronellal). | 0 |
It has a role as a prodrug, an analgesic, a non-steroidal anti-inflammatory drug, an antirheumatic drug and an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. | It is a benzothiazine, a sulfonamide, an aminopyridine, a monocarboxylic acid amide, an etabonate ester and an acetal. | 0 |
6-bromo-2-naphthyl beta-D-glucoside is a beta-D-glucoside that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen is replaced by a 6-bromo-2-naphthyl group. | It is an organobromine compound, a member of naphthalenes and a beta-D-glucoside. | 0 |
It is a conjugate acid of a 3-isopropylmalate(2-). | It is functionally related to a succinic acid. | 0 |
It is functionally related to a columbamine. | (S)-tetrahydrocolumbamine is a berberine alkaloid consisting of columbamine having four extra hydrogens at positions 5, 8, 13 and 13a and (S)-configuration. | 0 |
Methenamine hippurate is a N-acylglycine. | It is functionally related to a N-benzoylglycine. | 0 |
Desferrioxamine E(3-) is a hydroxamic acid anion resulting from the removal of a proton from each of the hydroxamic acid groups of desferrioxamine E. | It has a role as a siderophore. | 0 |
It is a conjugate base of a cyclohexylammonium. | Cyclohexylamine is a primary aliphatic amine consisting of cyclohexane carrying an amino substituent. | 0 |
Undecan-1-ol is a primary alcohol that is undecane substituted by a hydroxy group at position 1. | It has a role as a plant metabolite and a flavouring agent. | 0 |
Neamine is 2-Deoxy-D-streptamine glycosylated at the 4-oxygen with a 6-amino-alpha-D-glucosaminyl group. | It has a role as an antibacterial agent. | 0 |
Triglyme is a polyether that consists of dodecane in which the carbon atoms at positions 2, 5, 8 and 11 are replaced by oxygen atoms. | It has a role as a solvent. | 0 |
It is a conjugate acid of a sulbenicillin(2-). | Sulbenicillin is a penicillin antibiotic having a 6beta-[phenyl(sulfo)acetamido] side-chain. | 0 |
UDP-N-acetyl-alpha-D-galactosamine is a UDP-N-acetyl-D-galactosamine in which the anomeric centre of the galactosamine moiety has alpha-configuration. | It is a conjugate acid of an UDP-N-acetyl-alpha-D-galactosamine(2-). | 0 |
It is metabolite of the herbicide terbutylazine. | It is a diamino-1,3,5-triazine and a chloro-1,3,5-triazine. | 0 |
It has a role as an antibacterial drug. | Nafcillin is a penicillin in which the substituent at position 6 of the penam ring is a (2-ethoxy-1-naphthoyl)amino group. | 0 |
It has a role as a H1-receptor antagonist, an anti-allergic agent, an anti-asthmatic drug, a bronchodilator agent, a platelet aggregation inhibitor and an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor. | Azelastine is a phthalazine compound having an oxo substituent at the 1-position, a 1-methylazepan-4-yl group at the 2-position and a 4-chlorobenzyl substituent at the 4-position. | 0 |
17beta-Hydroxy-2-methylandrost-1,4-dien-3-one is a 3-hydroxy steroid. | It has a role as an androgen. | 0 |
2-(2-amino-3-methoxyphenyl)chromen-4-one is a member of the class of monomethoxyflavones that is 3'-methoxyflavone bearing an additional amino substituent at position 2'. | It has a role as an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor and a geroprotector. | 0 |
It is a sesquiterpene and a carbotricyclic compound. | It has a role as a plant metabolite. | 0 |
5,6-dihydrouracil is a pyrimidine obtained by formal addition of hydrogen across the 5,6-position of uracil. | It has a role as a metabolite, a human metabolite, an Escherichia coli metabolite and a mouse metabolite. | 0 |
5-nitroanthranilic acid is an aminobenzoic acid in which the the amino group is ortho- to the carboxylic acid group, and which is substituted para- to the amino group by a nitro group. | It is a conjugate acid of a 5-nitroanthranilate. | 0 |
It is a conjugate acid of a 2-C-methyl-D-erythritol 2,4-cyclic diphosphate(2-). | 2-C-methyl-D-erythritol 2,4-cyclic diphosphate is a tetritol phosphate. | 0 |
(S)-flurbiprofen is a flurbiprofen. | It is an enantiomer of a (R)-flurbiprofen. | 0 |
It has a role as a mitochondrial NADH:ubiquinone reductase inhibitor. | Pyridaben is a pyridazinone, an organochlorine insecticide and an organochlorine acaricide. | 0 |
It is a hexadecanoate ester and a primary alcohol. | It is functionally related to an ethylene glycol. | 0 |
3,6-diaminoacridine dihydrochloride is a hydrochloride resulting from the reaction of 3,6-diaminoacridine with 2 mol eq. | It contains a 3,6-diaminoacridine(2+). | 0 |
It is a hydroxybutyric acid, a 2-hydroxy fatty acid and an omega-hydroxy-short-chain fatty acid. | 2,4-dihydroxybutanoic acid is a omega-hydroxy fatty acid that is butyric acid substituted by hydroxy groups at positions 2 and 4 respectively. | 0 |
Tridihexethyl iodide is an organic iodide salt. | It contains a tridihexethyl. | 0 |
It has a role as a phenothiazine antipsychotic drug, an antiemetic, a dopaminergic antagonist, an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor and an anticoronaviral agent. | Chlorpromazine is a substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety. | 0 |
Acequinocyl is an acetate ester consisting of 1,4-naphthoquinone bearing acetoxy and dodecyl substituents at positions 2 and 3 respectively. | It is an acetate ester and a member of 1,4-naphthoquinones. | 0 |
It has a role as a mordant and a catalyst. | Barium acetate is an acetate salt in which the cationic component is barium(2+). | 0 |
It is a tautomer of an aci-nitroethane. | Nitroethane is a nitroalkane that is ethane substituted by a nitro group. | 0 |
Rubidium chloride is an inorganic chloride composed of rubidium and chloride ions in a 1:1 ratio. | It has a role as an antidepressant and a biomarker. | 0 |
It has a role as an EC 3.1.1.8 (cholinesterase) inhibitor and a muscarinic agonist. | Distigmine is a carbamate ester resulting from the formal condensation of both carboxy groups of hexane-1,6-diylbis(methylcarbamic acid) with the hydroxy group of 3-hydroxy-1-methylpyridinium. | 0 |
It has a role as an androgen. | 11-Hydroxyandrostenedione is a 3-hydroxy steroid. | 0 |
4-chloroindole-3-acetic acid is a chloroindole-3-acetic acid. | It has a role as an auxin. | 0 |
Didesethylflurazepam is a primary amino compound resulting from the dealkylation of both ethyl groups of the anti-insomnia drug flurazepam. | It is a 1,4-benzodiazepinone, a member of monofluorobenzenes, an organochlorine compound and a primary amino compound. | 0 |
Dicofol is a tertiary alcohol that is DDT in which the benzylic hydrogen has been replaced by a hydroxy group. | It is an organochlorine acaricide, a member of monochlorobenzenes and a tertiary alcohol. | 0 |
1-piperideine-6-carboxylic acid is a tetrahydropyridine that is 2,3,4,5-tetrahydropyridine having a carboxy group at the 2-position. | It derives from a hydride of a 1-piperideine. | 0 |
It has a role as a human metabolite and a mouse metabolite. | Cholesta-5,7-dien-3beta-ol is a 3beta-sterol, a cholestanoid, a Delta(5),Delta(7)-sterol and a 3beta-hydroxy-Delta(5)-steroid. | 0 |
It has a role as a mouse metabolite. | It is functionally related to a hexadecanoic acid. | 0 |
Stipitatonic acid is a cycloheptafuran and a cyclic dicarboxylic anhydride. | It is a conjugate acid of a stipitaton-4-olate. | 0 |
It is a selective 5-HT1A serotonin receptor agonist and 5-HT1D serotonin receptor antagonist. | It is a N-arylpiperazine, a N-alkylpiperazine, a member of (trifluoromethyl)benzenes, a substituted aniline and a primary arylamine. | 0 |
(S)-epichlorohydrin is an epichlorohydrin. | It is functionally related to a (R)-1,2-epoxypropane. | 0 |
It is an organochlorine compound, an aldehyde hydrate and an ethanediol. | It has a role as a sedative, a general anaesthetic, a mouse metabolite and a xenobiotic. | 0 |
It has a role as a neuromuscular agent, a muscle relaxant and a drug allergen. | Succinylcholine is a quaternary ammonium ion that is the bis-choline ester of succinic acid. | 0 |
It has a role as an antibacterial agent, a biological pigment, a bacterial metabolite and a virulence factor. | Pyocyanine is an iminium betaine that is 5-methylphenazin-5-ium which is substituted at position 1 by an oxidanidyl group. | 0 |
It is a quinolone, an amino acid, a monocarboxylic acid, an organofluorine compound, a secondary amino compound, a tertiary amino compound, a N-arylpiperazine and a quinolone antibiotic. | 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is a quinolone that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted at positions 1, 6, and 7 by 2,4-difluorophenyl, fluorine, and 3-methylpiperazin-1-yl groups, respectively. | 0 |
It has a role as a plant metabolite. | Valerate is 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. | 0 |
It is a N-methyl-L-alpha-amino acid and a N-methylvaline. | N-methyl-L-valine is an optically active form of N-methylvaline having L-configuration. | 0 |
Hexyl isocyanate is an isocyanate in which a single isocyanato substituent is located at C-1 of a hexane molecule; found to be immunogenic in guinea pigs. | It has a role as an immunomodulator and an allergen. | 0 |
11beta-hydroxyandrost-4-ene-3,17-dione is an 11beta-hydroxy steroid, a 3-oxo steroid, a 17-oxo steroid and an androstanoid. | It has a role as a human metabolite and a mouse metabolite. | 0 |
It is a metabolite of the herbicide isoproturon. | It has a role as a marine xenobiotic metabolite. | 0 |
It has a role as an antiprotozoal drug. | It is a member of imidazoles, a C-nitro compound and a monocarboxylic acid amide. | 0 |
It has a role as a plant metabolite and an antibacterial agent. | It is found in nutmeg. | 0 |
Nevadensin is a trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 8 and 4' and hydroxy groups at positions 5 and 7 respectively. | It is functionally related to a flavone. | 0 |
It is functionally related to a norgestrel. | It is an enantiomer of a levonorgestrel. | 0 |
It is a conjugate acid of a tartrazine(3-). | Tartrazine acid is a pyrazoles which is pyrazole-3-carboxylic acid substituted by an oxo group at position 5, a 4-sulfophenyl group at position 1 and (4-sulfophenyl)diazenyl group at position 4. | 0 |
It is an ammonium ion derivative and an organic cation. | It is a conjugate acid of a 2,6-diamino-2,3,6-trideoxy-alpha-D-glucose. | 0 |
Alpha-pinene is a pinene that is bicyclo[3.1.1]hept-2-ene substituted by methyl groups at positions 2, 6 and 6 respectively. | It has a role as a plant metabolite. | 0 |
It is a sulfonamide, an aromatic ether and a tertiary amino compound. | It is used as an anti-arrhythmia drug. | 0 |
Flavan-3,3',4',5,5',7-hexol is a hydroxyflavan that is 3,4-dihydro-2H-chromene which is substituted at positions 3, 5, and 7 by hydroxy groups, and at position 2 by a 3,4,5-trihydroxyphenyl group. | It is a hydroxyflavan, a secondary alcohol and a polyphenol. | 0 |
Spathulenol is 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. | It has a role as a volatile oil component, a plant metabolite, an anaesthetic and a vasodilator agent. | 0 |
It is an enantiomer of a 5-methyl-D-tryptophan. | 5-methyl-L-tryptophan is a 5-methyltryptophan. | 0 |
It is functionally related to an acetonitrile. | (2-methylphenyl)acetonitrile is a nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 2-methylphenyl group. | 0 |
It is functionally related to a fumagillol. | O-(chloroacetylcarbamoyl)fumagillol is a carbamate ester that is fumagillol in which the hydroxy group has been converted to the corresponding N-(chloroacetyl)carbamate derivative. | 0 |
It is functionally related to a 2-methylbutyric acid. | N-(2-methylbutanoyl)glycine is a N-acylglycine that is glycine substituted by a 2-methylbutanoyl group at the N atom. | 0 |
Setiptiline is a tetracyclic antidepressant that is 2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine carrying a methyl group at position 2. | It is a conjugate base of a setiptiline(1+). | 0 |
It has a role as an alpha-adrenergic antagonist, an antihypertensive agent and a vasodilator agent. | Tolazoline is a member of the class of imidazoles that is 4,5-dihydro-1H-imidazole substituted by a benzyl group. | 0 |
It is a conjugate base of a chlorous acid. | Chlorite is a chlorine oxoanion and a monovalent inorganic anion. | 0 |
It has a role as a plant metabolite, an antioxidant, a neuroprotective agent, an apoptosis inducer and a phytoestrogen. | It derives from a hydride of a dammarane. | 0 |
It is a conjugate base of a peroxynitrous acid. | It is a member of reactive oxygen species, a nitrogen oxoanion and a member of reactive nitrogen species. | 0 |
It is functionally related to an indan-2-one. | Indan-2-one oxime is a member of indanes and a ketoxime. | 0 |
It is an enantiomer of a (2S)-octan-2-ol. | (2R)-octan-2-ol is an octan-2-ol. | 0 |
It derives from a hydride of a 5beta-cholestane. | 5beta-scymnol is a 3alpha-hydroxy steroid, a 7alpha-hydroxy steroid, a 12alpha-hydroxy steroid, a 24-hydroxy steroid, a 26-hydroxy steroid and a 27-hydroxy steroid. | 0 |
It is a C20-gibberellin and a gibberellin monocarboxylic acid. | It is functionally related to a gibberellin A53. | 0 |
Benzenediazonium is the aromatic diazonium ion formed from diazotisation of aniline. | It has a role as a hapten. | 0 |
It has a role as a plant metabolite, an antioxidant and an anti-allergic agent. | It is a methyl ester, a member of pyrans, an enoate ester, a beta-D-glucoside, a monosaccharide derivative, a dicarboxylic acid monoester and a secoiridoid glycoside. | 0 |
It is an ethyl ester, a cyclohexanecarboxylate ester and a member of cyclohexanones. | It is functionally related to a 4-oxocyclohexanecarboxylic acid. | 0 |
It has a role as a marine metabolite. | 2-bromophenol is a bromophenol. | 0 |
It has a role as an androgen. | 11beta,17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one is a 3-hydroxy steroid. | 0 |
It has a role as a human metabolite. | Gamma-Glu-Gly is a glutamyl-L-amino acid obtained by formal condensation of the gamma-carboxy group of glutamic acid with the amino group of glycine. | 0 |
It is an organofluorine compound and a haloacetic acid. | It is a conjugate acid of a fluoroacetate. | 0 |
It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide and an agrochemical. | Mecarbam is an organic thiophosphate that is O,O-diethyl hydrogen phosphorodithioate in which the hydrogen attached to a sulfur is replaced by a 2-[(ethoxycarbonyl)(methyl)amino]-2-oxoethyl group. | 0 |
It is a member of benzenes and a crown ether. | Dibenzo-18-crown-6 is a crown ether that is 18-crown-6 ortho-fused to two benzene rings at positions 8-9 and 17-18. | 0 |
It is a monocarboxylic acid, a phenylpropanoid and a member of guaiacols. | Dihydroferulic acid is 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. | 0 |