Substance | Relationship Strength | Studies | Trials | Classes | Roles |
catechol [no description available] | 2.05 | 1 | 0 | catechols | allelochemical; genotoxin; plant metabolite |
indole [no description available] | 1.99 | 1 | 0 | indole; polycyclic heteroarene | Escherichia coli metabolite |
naphthalene [no description available] | 2.4 | 2 | 0 | naphthalenes; ortho-fused bicyclic arene | apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component |
toluene methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups. | 1.99 | 1 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
ponalrestat [no description available] | 2 | 1 | 0 | phthalazines | |
9,10-dimethyl-1,2-benzanthracene 9,10-Dimethyl-1,2-benzanthracene: Polycyclic aromatic hydrocarbon found in tobacco smoke that is a potent carcinogen.. 7,12-dimethyltetraphene : A tetraphene having methyl substituents at the 7- and 12-positions. It is a potent carcinogen and is present in tobacco smoke. | 2.01 | 1 | 0 | ortho-fused polycyclic arene; tetraphenes | carcinogenic agent |
2-nitrotoluene nitrotoluene : Any member of the class of toluenes bearing one or more nitro substituents on the benzene ring. | 1.99 | 1 | 0 | mononitrotoluene | carcinogenic agent; environmental contaminant |
salicylaldehyde o-hydroxybenzaldehyde: structure in first source | 2.05 | 1 | 0 | hydroxybenzaldehyde | nematicide; plant metabolite |
1-naphthol 1-naphthol: RN given refers to parent cpd. 1-naphthol : A naphthol carrying a hydroxy group at position 1.. hydroxynaphthalene : Any member of the class of naphthalenes that is naphthalene carrying one or more hydroxy groups. | 2.05 | 1 | 0 | naphthol | genotoxin; human xenobiotic metabolite |
2,4-dinitrotoluene 2,4-dinitrotoluene : A dinitrotoluene in which the methyl group is ortho to one of the nitro groups and para to the other. It is the most common isomer of dinitrotoluene. | 1.99 | 1 | 0 | dinitrotoluene | |
2-naphthol 2-naphthol: RN given refers to parent cpd. 2-naphthol : A naphthol carrying a hydroxy group at position 2.. naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent. | 3.94 | 13 | 0 | naphthol | antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger |
catechin Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.. catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.. rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin. (+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. | 2.02 | 1 | 0 | catechin | antioxidant; plant metabolite |
benzoxazoles 1,3-benzoxazole : A benzoxazole in which the benzene ring is fused to a 1,3-oxazole ring across positions 4 and 5.. benzoxazole : Compounds based on a fused 1,2- or 1,3-oxazole and benzene bicyclic ring skeleton. | 2.25 | 1 | 0 | 1,3-benzoxazoles; mancude organic heterobicyclic parent | |
thiazoles [no description available] | 2.02 | 1 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
hydantoins Hydantoins: Compounds based on imidazolidine dione. Some derivatives are ANTICONVULSANTS.. imidazolidine-2,4-dione : An imidazolidinone with oxo groups at position 2 and 4. | 2.4 | 2 | 0 | imidazolidine-2,4-dione | |
1,2-naphthoquinone naphthalene-1,2-dione: structure given in first source. 1,2-naphthoquinone : The parent structure of the family of 1,2-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 2 of the naphthalene ring. It is a metabolite of naphthalene and is found in diesel exhaust particles. | 2.69 | 3 | 0 | 1,2-naphthoquinones | aryl hydrocarbon receptor agonist; carcinogenic agent |
1,2-dihydroxynaphthalene 1,2-dihydroxynaphthalene: RN given refers to parent cpd | 2 | 1 | 0 | naphthalenediol | mouse metabolite |
fluorine Fluorine: A nonmetallic, diatomic gas that is a trace element and member of the halogen family. It is used in dentistry as fluoride (FLUORIDES) to prevent dental caries. | 1.96 | 1 | 0 | diatomic fluorine; gas molecular entity | NMR chemical shift reference compound |
benzo(a)pyrene 7,8-dihydrodiol benzo(a)pyrene 7,8-dihydrodiol: RN given refers to cpd without isomeric designation | 2.01 | 1 | 0 | pyrenes | |
tolrestat tolrestat: RN & structure given in first source | 2 | 1 | 0 | naphthalenes | EC 1.1.1.21 (aldehyde reductase) inhibitor |
thiazolyl blue thiazolyl blue: RN & II refers to bromide. 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide : The bromide salt of 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium. | 2.02 | 1 | 0 | organic bromide salt | colorimetric reagent; dye |
epigallocatechin gallate epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis). (-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin. | 2.02 | 1 | 0 | flavans; gallate ester; polyphenol | antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite |
imirestat imirestat: structure given in first source | 2.4 | 2 | 0 | | |
benzo(a)pyrene-7,8-dione benzo(a)pyrene-7,8-dione: a metabolite of benzo(a)pyrene; structure given in first source. benzo[a]pyrene-7,8-dione : An o-quinone resulting from the formal oxidation of both of the hydroxy groups of benzo[a]pyrene-cis-7,8-dihydrodiol. Benzo[a]pyrene-7,8-dione is a metabolite of the widespread carcinogen benzo[a]pyrene. | 2.01 | 1 | 0 | orthoquinones; pyrenes | genotoxin; xenobiotic metabolite |
sorbinil sorbinil: aldose reductase inhibitor. sorbinil : An azaspiro compound having a monofluoro-substituted chromane skeleton spiro-linked to an imidazolidinedione ring. | 2 | 1 | 0 | azaspiro compound; chromanes; imidazolidinone; organofluorine compound; oxaspiro compound | antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor |
imidazolidines [no description available] | 2 | 1 | 0 | azacycloalkane; imidazolidines; saturated organic heteromonocyclic parent | |
naphthoquinones Naphthoquinones: Naphthalene rings which contain two ketone moieties in any position. They can be substituted in any position except at the ketone groups. | 2.7 | 3 | 0 | | |
5-(ethylsulfonyl)-2-(naphthalen-2-yl)benzo(d)oxazole ezutromid: a utrophin upregulator; structure in first source | 2.25 | 1 | 0 | | |
salicylates Salicylates: The salts or esters of salicylic acids, or salicylate esters of an organic acid. Some of these have analgesic, antipyretic, and anti-inflammatory activities by inhibiting prostaglandin synthesis.. hydroxybenzoate : Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent.. salicylates : Any salt or ester arising from reaction of the carboxy group of salicylic acid, or any ester resulting from the condensation of the phenolic hydroxy group of salicylic acid with an organic acid.. salicylate : A monohydroxybenzoate that is the conjugate base of salicylic acid. | 2.05 | 1 | 0 | monohydroxybenzoate | plant metabolite |
hydroxymuconic semialdehyde (2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid : A 2-hydroxy-6-oxohexa-2,4-dienoic acid in which the double bonds at positions 2 and 4 have Z- and E-configuration respectively.. 2-hydroxy-6-oxohexa-2,4-dienoic acid : A muconic semialdehyde having a hydroxy substituent at the 2-position. | 2.05 | 1 | 0 | | |
dinitrobenzenes Dinitrobenzenes: Benzene derivatives which are substituted with two nitro groups in the ortho, meta or para positions. | 1.99 | 1 | 0 | | |