Substance | Relationship Strength | Studies | Trials | Classes | Roles |
protocatechuic acid protocatechuic acid: RN given refers to parent cpd; structure. 3,4-dihydroxybenzoic acid : A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4. | 2.17 | 1 | 0 | catechols; dihydroxybenzoic acid | antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite |
gamma-aminobutyric acid gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system.. gamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4. | 2.61 | 2 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule |
4-hydroxybenzaldehyde [no description available] | 2.61 | 2 | 0 | hydroxybenzaldehyde | EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor; mouse metabolite; plant metabolite |
benzaldehyde [no description available] | 2.61 | 2 | 0 | benzaldehydes | EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite |
1-butanol 1-Butanol: A four carbon linear hydrocarbon that has a hydroxy group at position 1.. butan-1-ol : A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes. | 1.97 | 1 | 0 | alkyl alcohol; primary alcohol; short-chain primary fatty alcohol | human metabolite; mouse metabolite; protic solvent |
catechol [no description available] | 2.17 | 1 | 0 | catechols | allelochemical; genotoxin; plant metabolite |
4-nitrobenzaldehyde 4-nitrobenzaldehyde: RN given refers to parent cpd. 4-nitrobenzaldehyde : A C-nitro compound that is benzaldehyde substituted at the para-position with a nitro group. | 2.89 | 3 | 0 | benzaldehydes; C-nitro compound | |
phenylacetaldehyde [no description available] | 2.21 | 1 | 0 | alpha-CH2-containing aldehyde; phenylacetaldehydes | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
toluene methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups. | 2.11 | 1 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
vanillin Vanilla: A plant genus of the family ORCHIDACEAE that is the source of the familiar flavoring used in foods and medicines (FLAVORING AGENTS). | 2.21 | 1 | 0 | benzaldehydes; monomethoxybenzene; phenols | anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite |
cypermethrin cypermethrin : A carboxylic ester resulting from the formal condensation between 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid and the alcoholic hydroxy group of hydroxy(3-phenoxyphenyl)acetonitrile.. zeta-cypermethrin : A diastereoisomeric mixture comprising the isomeric pair (1R)-cis-(alphaS)- and (1S)-trans-(alphaR)-cypermethrin together with the isomeric pair (1S)-cis-(alphaS)- and (1S)-trans-(alphaS)-cypermethrin where the ratio between the isomeric pairs lies in the range 45:55 to 55:45. | 2.86 | 3 | 0 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound | agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide |
fenvalerate fenvalerate: synthetic pyrethroid; RN given refers to cpd without isomeric designation; structure. fenvalerate : A carboxylic ester obtained by formal condensation between 2-(4-chlorophenyl)-3-methylbutyric acid and cyano(3-phenoxyphenyl)methanol. | 2.49 | 2 | 0 | aromatic ether; carboxylic ester; monochlorobenzenes | pyrethroid ester acaricide; pyrethroid ester insecticide |
guvacine guvacine: RN given refers to parent cpd. 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. | 2.21 | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; beta-amino acid; pyridine alkaloid; secondary amino compound; tetrahydropyridine | GABA reuptake inhibitor; plant metabolite |
nipecotic acid nipecotic acid: RN given refers to cpd without isomeric designation. nipecotic acid : A piperidinemonocarboxylic acid that is piperidine in which one of the hydrogens at position 3 is substituted by a carboxylic acid group. | 2.21 | 1 | 0 | beta-amino acid; piperidinemonocarboxylic acid | |
no 711 [no description available] | 2.89 | 3 | 0 | diarylmethane | |
piperonyl butoxide [no description available] | 2.04 | 1 | 0 | benzodioxoles | pesticide synergist |
sucrose Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar. | 2.07 | 1 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
1-naphthaldehyde 1-naphthaldehyde: structure. naphthaldehyde : An aldehyde in which the organyl group is a naphthyl group.. 1-naphthaldehyde : A naphthaldehyde with a formyl group at position 1. | 2.61 | 2 | 0 | naphthaldehyde | mouse metabolite |
2-naphthaldehyde 2-naphthaldehyde: structure. 2-naphthaldehyde : A naphthaldehyde that is naphthalene substituted by a formyl group at position 2. | 2.61 | 2 | 0 | naphthaldehyde | mouse metabolite |
2-chlorobenzaldehyde [no description available] | 2.21 | 1 | 0 | | |
salicylaldehyde o-hydroxybenzaldehyde: structure in first source | 2.21 | 1 | 0 | hydroxybenzaldehyde | nematicide; plant metabolite |
hydratropic aldehyde 2-phenylpropanal : A member of the class of phenylacetaldehydes that is phenylacetaldehyde in which a hydrogen alpha to the aldehyde carbonyl group has been replaced by a methyl group. The major species at pH 7.3. | 2.21 | 1 | 0 | phenylacetaldehydes | |
furaldehyde Furaldehyde: A heterocyclic compound consisting of a furan where the hydrogen at position 2 is substituted by a formyl group.. furfural : An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group. | 2.59 | 2 | 0 | aldehyde; furans | Maillard reaction product; metabolite |
thiophene-2-carboxaldehyde thiophene-2-carboxaldehyde: structure in first source. formylthiophene : An aldehyde that is thiophene substituted by a formyl group at position 2. | 2.59 | 2 | 0 | aldehyde; thiophenes | metabolite |
3-nitrobenzaldehyde [no description available] | 2.61 | 2 | 0 | | |
4-(dimethylamino)benzaldehyde p-dimethylaminobenzaldehyde: structure in first source. 4-(dimethylamino)benzaldehyde : A member of the class of benzaldehydes that is benzaldehyde carrying a dimethylamino substituent at position 4. Used as an indicator for detection of indoles and hydrazine. | 2.21 | 1 | 0 | benzaldehydes; substituted aniline; tertiary amino compound | chromogenic compound |
di-(4-aminophenyl)ether di-(4-aminophenyl)ether: structure | 2.11 | 1 | 0 | aromatic ether | |
4-methylbenzaldehyde p-tolualdehyde : A tolualdehyde compound with the methyl substituent at the 4-position. | 2.21 | 1 | 0 | tolualdehyde | plant metabolite |
4-chlorobenzaldehyde [no description available] | 2.21 | 1 | 0 | | |
piperonal piperonal: has been used as a pediculicide; structure. piperonal : An arenecarbaldehyde that is 1,3-benzodioxole substituted by a formyl substituent at position 5. It has been isolated from Piper nigrum. | 2.21 | 1 | 0 | arenecarbaldehyde; benzodioxoles | fragrance; insect repellent; plant metabolite |
syringaldehyde syringaldehyde: isolated from nonfermented fiber fractions of oat hulls and cottonseed hulls. 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. | 2.59 | 2 | 0 | dimethoxybenzene; hydroxybenzaldehyde | hypoglycemic agent; plant metabolite |
2-Methoxybenzaldehyde [no description available] | 2.89 | 3 | 0 | carbonyl compound | |
3-pyridinaldehyde pyridine-3-carbaldehyde : A pyridinecarbaldehyde that is pyridine substituted by a formyl group at position 3. | 2.61 | 2 | 0 | pyridinecarbaldehyde | |
phloroglucinol dimethyl ether phloroglucinol dimethyl ether: structure | 2.6 | 1 | 0 | methoxybenzenes; phenols | |
oleanolic acid [no description available] | 2.01 | 1 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
2-methylbenzaldehyde 2-methylbenzaldehyde: structure in first source. o-tolualdehyde : A tolualdehyde compound with the methyl substituent at the 2-position. | 2.21 | 1 | 0 | tolualdehyde | plant metabolite |
2-nitrobenzaldehyde 2-nitrobenzaldehyde: structure given in first source. 2-nitrobenzaldehyde : Benzaldehyde substituted at the ortho-position with a nitro group. | 2.61 | 2 | 0 | benzaldehydes; C-nitro compound | |
3-methoxybenzoic acid [no description available] | 2.01 | 1 | 0 | methoxybenzoic acid | flavouring agent; human urinary metabolite |
3-methoxybenzaldehyde 3-methoxybenzaldehyde : A member of the class of benzaldehydes in which the hydrogen at position 3 of benzaldehyde has been replaced by a methoxy group. | 2.47 | 2 | 0 | benzaldehydes; monomethoxybenzene | Brassica napus metabolite |
3-methylbenzaldehyde 3-methylbenzaldehyde: structure in first source. m-tolualdehyde : A tolualdehyde compound with the methyl substituent at the 3-position. | 2.21 | 1 | 0 | tolualdehyde | plant metabolite |
diphenylacetaldehyde diphenylacetaldehyde: structure in first source | 2.61 | 2 | 0 | | |
pyrrole-2-carboxaldehyde 2-pyrrolecarboxaldehyde: structure in first source. pyrrole-2-carboxaldehyde : A pyrrole carrying a formyl substituent at the 2-position. | 2.59 | 2 | 0 | 1,3-thiazole-2-carbaldehyde; pyrroles | |
pyridine-2-carboxaldehyde pyridine-2-carboxaldehyde: structure in first source. 2-formylpyridine : A pyridinecarbaldehyde that is pyridine in which the hydrogen at position 2 is replaced by a formyl group. | 2.61 | 2 | 0 | pyridinecarbaldehyde | |
3-phenoxybenzoic acid 3-phenoxybenzoic acid: metabolite associated with exposure to pyrethroid insecticides. 3-phenoxybenzoic acid : A phenoxybenzoic acid in which the phenoxy group is meta to the carboxy group. It is a metabolite of pyrethroid insecticides. | 3.58 | 8 | 0 | phenoxybenzoic acid | human xenobiotic metabolite; marine xenobiotic metabolite |
3-phenoxybenzylalcohol (3-phenoxyphenyl)methanol : A member of the class of benzyl alcohols that is benzyl alcohol bearing a phenoxy substituent at C-3. It is a metbaolite of the insecticide permethrin. | 3.14 | 5 | 0 | aromatic ether; benzyl alcohols | marine xenobiotic metabolite |
4-anisaldehyde 4-anisaldehyde: RN given refers to cpd with specified locants for methoxy moieties; structure in Merck, 9th ed, #696. p-methoxybenzaldehyde : A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4. | 2.89 | 3 | 0 | benzaldehydes | bacterial metabolite; human urinary metabolite; insect repellent; plant metabolite |
permethrin hemoglobin Atlanta-Coventry: Leu replaced by Pro at beta75 and Leu deleted at beta141 | 2.75 | 3 | 0 | cyclopropanecarboxylate ester; cyclopropanes | agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide |
decamethrin decamethrin: pyrethroid insecticide; RN given refers to cpd without isomeric designation; structure | 2.46 | 2 | 0 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organobromine compound | agrochemical; antifeedant; calcium channel agonist; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; pyrethroid ester insecticide |
tiagabine Tiagabine: A nipecotic acid derivative that acts as a GABA uptake inhibitor and anticonvulsant agent. It is used in the treatment of EPILEPSY, for refractory PARTIAL SEIZURES.. tiagabine : A piperidinemonocarboxylic acid that is (R)-nipecotic acid in which the hydrogen attached to the nitrogen has been replaced by a 1,1-bis(3-methyl-2-thienyl)but-1-en-4-yl group. A GABA reuptake inhibitor, it is used (generally as the hydrochloride salt) for the treatment of epilepsy. | 2.89 | 3 | 0 | beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes | anticonvulsant; GABA reuptake inhibitor |
ursolic acid [no description available] | 2.01 | 1 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | geroprotector; plant metabolite |
4-cyanobenzaldehyde [no description available] | 2.21 | 1 | 0 | benzaldehydes | |
4-(trifluoromethyl)benzaldehyde [no description available] | 2.21 | 1 | 0 | benzaldehydes | |
4-fluorobenzaldehyde [no description available] | 2.21 | 1 | 0 | | |
9-anthraldehyde [no description available] | 2.61 | 2 | 0 | | |
quinoline-4-carbaldehyde [no description available] | 2.89 | 3 | 0 | | |
2-quinolinecarboxaldehyde 2-quinolinecarboxaldehyde: structure in first source | 2.89 | 3 | 0 | | |
2-bromobenzaldehyde 2-bromobenzaldehyde: structure in first source | 2.21 | 1 | 0 | | |
4-methoxy-1-naphthalaldehyde 4-methoxy-1-naphthalaldehyde: used for fluorometric assays for isozymes of human alcohol dehydrogenase; structure given in first source | 2.61 | 2 | 0 | | |
n-(4,4-diphenyl-3-butenyl)nipecotic acid N-(4,4-diphenyl-3-butenyl)nipecotic acid: structure given in first source | 2.21 | 1 | 0 | diarylmethane | |
lilial [no description available] | 2.21 | 1 | 0 | | |
2-benzyloxybenzaldehyde [no description available] | 2.61 | 2 | 0 | | |
potassium permanganate Potassium Permanganate: Permanganic acid (HMnO4), potassium salt. A highly oxidative, water-soluble compound with purple crystals, and a sweet taste. (From McGraw-Hill Dictionary of Scientific and Technical Information, 4th ed) | 2.25 | 1 | 0 | | |
cinnamaldehyde 3-phenylprop-2-enal : A member of the class of cinnamaldehydes that is prop-2-enal in which a hydrogen at position 3 has been replaced by a phenyl group. The configuration of the double bond is not specified; the name "cinnamaldehyde" is widely used to refer to the E (trans) isomer.. (E)-cinnamaldehyde : The E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes. | 2.21 | 1 | 0 | 3-phenylprop-2-enal; cinnamaldehydes | antifungal agent; EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor; flavouring agent; hypoglycemic agent; plant metabolite; sensitiser; vasodilator agent |
nipecotic acid (R)-nipecotic acid : The (R)-enantiopmer of nipecotic acid. | 2.21 | 1 | 0 | amino acid zwitterion; nipecotic acid | |
beta-proline beta-proline: RN given refers to cpd without isomeric designation; structure given in first source | 2.21 | 1 | 0 | | |
acrinathrin acrinathrin: structure in first source | 7 | 1 | 0 | cyclopropanecarboxylate ester; organofluorine compound | pyrethroid ester acaricide; pyrethroid ester insecticide |
nipecotic acid, (s)-isomer (S)-nipecotic acid : The (S)-enantiomer of nipecotic acid. | 2.21 | 1 | 0 | nipecotic acid | |
pyrethrins [no description available] | 3.69 | 9 | 0 | | |