Substance | Relationship Strength | Studies | Trials | Classes | Roles |
4-hydroxybenzaldehyde [no description available] | 2.08 | 1 | 0 | hydroxybenzaldehyde | EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor; mouse metabolite; plant metabolite |
adenine [no description available] | 2.11 | 1 | 0 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
catechol [no description available] | 2.08 | 1 | 0 | catechols | allelochemical; genotoxin; plant metabolite |
salicylic acid Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL). | 2.08 | 1 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
3,3-dimethylallyl pyrophosphate 3,3-dimethylallyl pyrophosphate: isomeric with isopentenyl pyrophosphate. prenyl diphosphate : A prenol phosphate that is a phosphoantigen comprising the O-pyrophosphate of prenol. | 2.05 | 1 | 0 | prenol phosphate | epitope; Escherichia coli metabolite; mouse metabolite; phosphoantigen |
glycine [no description available] | 2 | 1 | 0 | alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical |
phenol [no description available] | 2.02 | 1 | 0 | phenols | antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite |
cetyltrimethylammonium ion Cetrimonium: Cetyltrimethylammonium compound whose salts and derivatives are used primarily as topical antiseptics.. cetyltrimethylammonium ion : A quaternary ammonium ion in which the substituents on nitrogen are one hexadecyl and three methyl groups. | 2.05 | 1 | 0 | quaternary ammonium ion | |
isoniazid Hydra: A genus of freshwater polyps in the family Hydridae, order Hydroida, class HYDROZOA. They are of special interest because of their complex organization and because their adult organization corresponds roughly to the gastrula of higher animals.. hydrazide : Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing -OH by -NRNR2 (R groups are commonly H). (IUPAC). | 7.41 | 1 | 0 | carbohydrazide | antitubercular agent; drug allergen |
kojic acid [no description available] | 2.17 | 1 | 0 | 4-pyranones; enol; primary alcohol | Aspergillus metabolite; EC 1.10.3.1 (catechol oxidase) inhibitor; EC 1.10.3.2 (laccase) inhibitor; EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; EC 1.4.3.3 (D-amino-acid oxidase) inhibitor; NF-kappaB inhibitor; skin lightening agent |
piracetam Piracetam: A compound suggested to be both a nootropic and a neuroprotective agent. | 7.41 | 1 | 0 | organonitrogen compound; organooxygen compound | |
triclosan [no description available] | 2.17 | 1 | 0 | aromatic ether; dichlorobenzene; monochlorobenzenes; phenols | antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic |
benzoxazolone benzoxazolone: RN given refers to parent cpd; structure. 2-benzoxazolinone : A member of the class of benzoxazoles that is 2,3-dihydro-1,3-benzoxazole carrying an oxo group at position 2. | 2.08 | 1 | 0 | benzoxazole | allelochemical; phytoalexin |
4-nitrobenzoic acid 4-nitrobenzoic acid: RN given refers to parent cpd. 4-nitrobenzoic acid : A nitrobenzoic acid having the nitro group at the 4-position. | 2.08 | 1 | 0 | nitrobenzoic acid | |
aniline [no description available] | 7.02 | 1 | 0 | anilines; primary arylamine | |
histidine Histidine: An essential amino acid that is required for the production of HISTAMINE.. L-histidine : The L-enantiomer of the amino acid histidine.. histidine : An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3. | 2.02 | 1 | 0 | amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
3-methylsalicylic acid 3-methylsalicylic acid : A monohydroxybenzoic acid consisting of salicylic acid carrying a methyl group at the 3-position. | 2.08 | 1 | 0 | monohydroxybenzoic acid | bacterial xenobiotic metabolite |
1,5-dihydroxynaphthalene [no description available] | 2.46 | 2 | 0 | | |
5-methylsalicylic acid [no description available] | 2.08 | 1 | 0 | | |
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. | 2.17 | 1 | 0 | naphthol | genotoxin; human xenobiotic metabolite |
2-aminodiphenyl aminobiphenyl : Any member of the class of biphenyls in which the biphenyl skeleton is substituted by at least one amino group. | 2.11 | 1 | 0 | | |
2-phenylphenol 2-phenylphenol: RN given refers to parent cpd; structure. biphenyl-2-ol : A member of the class of hydroxybiphenyls that is biphenyl substituted by a hydroxy group at position 2. It is generally used as a post-harvest fungicide for citrus fruits. | 2.11 | 1 | 0 | hydroxybiphenyls | antifungal agrochemical; environmental food contaminant |
benzohydrol diphenylmethanol : A secondary alcohol that is diphenylmethane which carries a hydroxy group at position 1. | 2.11 | 1 | 0 | benzyl alcohols; secondary alcohol | bacterial xenobiotic metabolite; human urinary metabolite; human xenobiotic metabolite; rat metabolite |
2,3-dihydroxynaphthalene 2,3-naphthalenediol: structure in first source | 2.03 | 1 | 0 | naphthalenediol | |
4,4'-dihydroxybiphenyl biphenyl-4,4'-diol : A member of the class of hydroxybiphenyls that is biphenyl with hydroxy groups at positions 4 and 4'. | 2.5 | 2 | 0 | hydroxybiphenyls | |
benzothiazole benzothiazole: structure. benzothiazole : An organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles. | 2.08 | 1 | 0 | benzothiazoles | environmental contaminant; plant metabolite; xenobiotic |
phenylhydrazine [no description available] | 2.08 | 1 | 0 | phenylhydrazines | xenobiotic |
triclocarban triclocarban: bacteriostat; antiseptic in soaps & other cleansing solns; germicide; structure. triclocarban : A member of the class of phenylureas that is urea substituted by a 4-chlorophenyl group and a 3,4-dichlorophenyl group at positions 1 and 3 respectively. | 2.17 | 1 | 0 | dichlorobenzene; monochlorobenzenes; phenylureas | antimicrobial agent; antiseptic drug; disinfectant; environmental contaminant; xenobiotic |
dibenzothiazyl disulfide dibenzothiazyl disulfide: vulcanizing accelerant. dibenzothiazol-2-yl disulfide : An organic disulfide resulting from the formal oxidative coupling of the thiol groups of two molecules of 1,3-benzothiazole-2-thiol. It is used as an accelerator in the rubber industry. | 2.08 | 1 | 0 | benzothiazoles; organic disulfide | allergen |
naphthoresorcinol naphthoresorcinol: RN given refers to parent cpd | 2.03 | 1 | 0 | | |
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. | 3.91 | 12 | 0 | naphthol | antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger |
2-aminobenzothiazole [no description available] | 2.08 | 1 | 0 | benzothiazoles | |
4-methylcatechol [no description available] | 2.08 | 1 | 0 | methylcatechol | antioxidant; carcinogenic agent; hapten; human metabolite; plant metabolite |
ninhydrin Ninhydrin: 2,2-Dihydroxy-1H-indene-1,3-(2H)-dione. Reagent toxic to skin and mucus membranes. It is used in chemical assay for peptide bonds, i.e., protein determinations and has radiosensitizing properties.. ninhydrin : A member of the class of indanones that is indane-1,3-dione bearing two additional hydroxy substituents at position 2. | 2.08 | 1 | 0 | aromatic ketone; beta-diketone; indanones; ketone hydrate | colour indicator; human metabolite |
olivetol olivetol: from cannabidiol by pyrolysis; structure. olivetol : A member of the class of resorcinols that is resorcinol in which the hydrogen at position 5 is replaced by a pentyl group. | 2.04 | 1 | 0 | resorcinols | lichen metabolite |
hydroxyhydroquinone benzene-1,2,4-triol : A benzenetriol carrying hydroxy groups at positions 1, 2 and 4. | 2.08 | 1 | 0 | benzenetriol | mouse metabolite |
1,4-naphthohydroquinone naphthohydroquinone : A hydroxynaphthalene that is naphthalene-1,4-diol and its C-substituted derivatives. | 2.03 | 1 | 0 | naphthalenediol; naphthohydroquinone | |
1,2-dihydroxynaphthalene 1,2-dihydroxynaphthalene: RN given refers to parent cpd | 2.03 | 1 | 0 | naphthalenediol | mouse metabolite |
6-hydroxyquinoline quinolin-6-ol : A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 6. | 2.08 | 1 | 0 | monohydroxyquinoline | |
pentafluorobenzoic acid [no description available] | 2.08 | 1 | 0 | perfluorinated compound | |
1,3-indandione 1,3-indandione : A member of the class of indanones that is indane in which the hydrogens at positions 2 and 4 have been replaced by oxo groups. | 2.08 | 1 | 0 | aromatic ketone; beta-diketone; indanones | |
5-methylbenzimidazole 5-methylbenzimidazole: structure in first source. 5-methyl-1H-benzimidazole : A member of the class of imidazoles that is 1H-benzimidazole in which the hydrogen at position 5 is substituted by a methyl group. | 2.08 | 1 | 0 | imidazoles | |
2-hydrazinobenzothiazole [no description available] | 2.08 | 1 | 0 | | |
3-acetylindole 3-acetylindole: structure in first source | 2.08 | 1 | 0 | | |
2-hydroxybenzothiazole 2-hydroxybenzothiazole : Benzothiazole substituted with a hydroxy group at the 2-position. | 2.08 | 1 | 0 | benzothiazole | |
phenylhydroquinone phenylhydroquinone: major metabolite of o-phenylphenol; cleaves DNA; structure given in first source | 2.08 | 1 | 0 | | |
2-amino-4-methylbenzothiazole 2-amino-4-methylbenzothiazole: structure in first source | 2.08 | 1 | 0 | | |
2,2'-biphenol biphenyl-2,2'-diol : A member of the class of hydroxybiphenyls carrying hydroxy groups at positions 2 and 2'. | 2.08 | 1 | 0 | hydroxybiphenyls | |
platinum Platinum: A heavy, soft, whitish metal, resembling tin, with atomic number 78, atomic weight 195.084, symbol Pt. It is used in manufacturing equipment for laboratory and industrial use. It occurs as a black powder (platinum black) and as a spongy substance (spongy platinum) and may have been known in Pliny's time as alutiae. | 2.05 | 1 | 0 | elemental platinum; nickel group element atom; platinum group metal atom | |
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. | 2.02 | 1 | 0 | diatomic fluorine; gas molecular entity | NMR chemical shift reference compound |
cefadroxil anhydrous Cefadroxil: Long-acting, broad-spectrum, water-soluble, CEPHALEXIN derivative.. cefadroxil : A cephalosporin bearing methyl and (2R)-2-amino-2-(4-hydroxyphenyl)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. | 2 | 1 | 0 | cephalosporin | antibacterial drug |
benzylaminopurine benzylaminopurine: a plant growth regulator. N-benzyladenine : 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. | 2.11 | 1 | 0 | 6-aminopurines | cytokinin; plant metabolite |
cephalosporin c cephalosporin C: RN given refers to parent cpd; structure in Merck, 9th ed, #1937. cephalosporin C : A cephalosporin antibiotic carrying a 3-acetoxymethyl substituent and a 6-oxo-N(6)-L-lysino group at position 7. | 2 | 1 | 0 | cephalosporin | fungal metabolite |
salicylhydroxamic acid [no description available] | 2.08 | 1 | 0 | hydroxamic acid; phenols | antibacterial drug; EC 1.11.2.2 (myeloperoxidase) inhibitor; EC 3.5.1.5 (urease) inhibitor; trypanocidal drug |
5-fluorosalicylic acid 5-fluorosalicylic acid: structure given in first source; product from action of alkaline phosphatase on 5-fluorosalicyl phosphate; forms highly fluorescent terbium ternary complex | 2.08 | 1 | 0 | | |
1,8-diaminonaphthalene 1,8-diaminonaphthalene: structure in first source | 2.08 | 1 | 0 | | |
1,8-dihydroxynaphthalene 1,8-dihydroxynaphthalene: isolated from mutant of Wangiella dermatitidis; structure given in first source. naphthalene-1,8-diol : A member of the class of naphthalenediols that is naphthalene in which the hydrogens at positions 1 and 8 are replaced by hydroxy groups. | 2.03 | 1 | 0 | naphthalenediol | fungal metabolite |
4,4'-diaminobenzophenone 4,4'-diaminobenzophenone: structure in first source | 2.11 | 1 | 0 | | |
4(5)-phenylimidazole 4(5)-phenylimidazole: tautomeric cpd; cytochrome P450 14alpha-sterol demethylase, CYP51 antagonist | 2.81 | 3 | 0 | | |
biphenyl-2-carboxylic acid biphenyl-2-carboxylic acid: structure in first source | 2.08 | 1 | 0 | | |
5-aminoisoquinoline [no description available] | 2.11 | 1 | 0 | | |
4-Methoxybenzamide [no description available] | 2.08 | 1 | 0 | benzamides | |
2-(carboxymethylthio)benzothiazole 2-(carboxymethylthio)benzothiazole: oxidation product of 2-(hydroxyethylthio)benzothiazole; structure given in first source | 2.08 | 1 | 0 | | |
4-hydroxyphenylglycine 4-hydroxyphenylglycine : A glycine molecule carrying a 4-hydroxyphenyl substituent. | 2 | 1 | 0 | hydroxy-amino acid | bacterial metabolite |
2,6-dihydroxynaphthalene [no description available] | 2.46 | 2 | 0 | naphthols | |
1-(2-pyridinyl)piperazine 1-(2-pyridinyl)piperazine: metabolite of buspirone & gepirone | 2.11 | 1 | 0 | | |
cobalt Cobalt: A trace element that is a component of vitamin B12. It has the atomic symbol Co, atomic number 27, and atomic weight 58.93. It is used in nuclear weapons, alloys, and pigments. Deficiency in animals leads to anemia; its excess in humans can lead to erythrocytosis.. cobalt(1+) : A monovalent inorganic cation obtained from cobalt.. cobalt atom : A cobalt group element atom that has atomic number 27. | 2.02 | 1 | 0 | cobalt group element atom; metal allergen | micronutrient |
basic red 51 Basic Red 51: a semi-permanent hair dye, cytotoxic to human skin cells; structure in first source | 2.17 | 1 | 0 | | |
3-cyanoindole [no description available] | 2.17 | 1 | 0 | | |
4-(1h-imidazol-1-yl) aniline [no description available] | 2.17 | 1 | 0 | | |
naringenin (S)-naringenin : The (S)-enantiomer of naringenin. | 2.04 | 1 | 0 | (2S)-flavan-4-one; naringenin | expectorant; plant metabolite |
e-z cinnamic acid cinnamic acid : A monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia.. trans-cinnamic acid : The E (trans) isomer of cinnamic acid | 2.02 | 1 | 0 | cinnamic acid | plant metabolite |
resveratrol trans-resveratrol : A resveratrol in which the double bond has E configuration. | 2.04 | 1 | 0 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
Thieno[3,2-b]thiophene-2-carboxylic acid [no description available] | 2.17 | 1 | 0 | thienothiophene | |
captax captax: RN given refers to parent cpd. 1,3-benzothiazole-2-thiol : 1,3-Benzothiazole substituted at the 2-position with a sulfanyl group. | 2.08 | 1 | 0 | aryl thiol; benzothiazoles | carcinogenic agent; metabolite |
laccase Laccase: A copper-containing oxidoreductase enzyme that catalyzes the oxidation of 4-benzenediol to 4-benzosemiquinone. It also has activity towards a variety of O-quinols and P-quinols. It primarily found in FUNGI and is involved in LIGNIN degradation, pigment biosynthesis and detoxification of lignin-derived products. | 2.13 | 1 | 0 | | |
4-nitrocatechol 4-nitrocatechol : A member of the class of catechols that is benzene-1,2-diol substituted by a nitro group at position 4.It is the by-product of the hydroxylation of p-nitrophenol. | 2.08 | 1 | 0 | C-nitro compound; catechols | human xenobiotic metabolite; lipoxygenase inhibitor |
apigenin Chamomile: Common name for several daisy-like plants (MATRICARIA; TRIPLEUROSPERMUM; ANTHEMIS; CHAMAEMELUM) native to Europe and Western Asia, now naturalized in the United States and Australia. | 2.04 | 1 | 0 | trihydroxyflavone | antineoplastic agent; metabolite |
genistein [no description available] | 2.04 | 1 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor |
esculetin esculetin: used in filters for absorption of ultraviolet light; structure. 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. | 2.08 | 1 | 0 | hydroxycoumarin | antioxidant; plant metabolite; ultraviolet filter |
daidzein [no description available] | 2.04 | 1 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite |
7-hydroxycoumarin-4-acetic acid 7-hydroxycoumarin-4-acetic acid: pH-indicator dye; structure in first source | 2.08 | 1 | 0 | | |
2-amino-6-chloropurine 6-chloroguanine: an antimalarial that inhibits hypoxanthine-guanine-xanthine phosphoribosyltransferase; structure in first source. 6-chloroguanine : An organochlorine compound that is 7H-purin-2-amine substituted by a chloro group at position 6. | 2.11 | 1 | 0 | 2-aminopurines; organochlorine compound | |