| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
4-hydroxybenzaldehyde
[no description available] | 2.02 | 1 | 0 | hydroxybenzaldehyde | EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite |
benzene
[no description available] | 2.08 | 1 | 0 | aromatic annulene;
benzenes;
volatile organic compound | carcinogenic agent;
environmental contaminant;
non-polar solvent |
catechol
[no description available] | 2.02 | 1 | 0 | catechols | allelochemical;
genotoxin;
plant metabolite |
2-cresol
2-cresol: RN given refers to parent cpd. o-cresol : A cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene. | 2.02 | 1 | 0 | cresol | human xenobiotic metabolite |
3-cresol
3-cresol: RN given refers to parent cpd. m-cresol : A cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene. | 2.02 | 1 | 0 | cresol | human xenobiotic metabolite |
guaiacol
Guaiacol: An agent thought to have disinfectant properties and used as an expectorant. (From Martindale, The Extra Pharmacopoeia, 30th ed, p747). methylcatechol : Any member of the class of catechols carrying one or more methyl substituents.. guaiacol : A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position. | 2.46 | 2 | 0 | guaiacols | disinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite |
hydroquinone
[no description available] | 2.02 | 1 | 0 | benzenediol;
hydroquinones | antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent |
4-nitrophenol
4-nitrophenol: RN given refers to parent cpd. mononitrophenol : A nitrophenol that is phenol carrying a single nitro substituent at unspecified position.. 4-nitrophenol : A member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group. | 2.45 | 2 | 0 | 4-nitrophenols | human xenobiotic metabolite;
mouse metabolite |
phenol
[no description available] | 2.45 | 2 | 0 | phenols | antiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite |
pyridine
azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'. | 2.08 | 1 | 0 | azaarene;
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
pyridines | environmental contaminant;
NMR chemical shift reference compound |
toluene
methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups. | 2.08 | 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). | 2.13 | 1 | 0 | benzaldehydes;
monomethoxybenzene;
phenols | anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite |
mercaptoethanol
Mercaptoethanol: A water-soluble thiol derived from hydrogen sulfide and ethanol. It is used as a reducing agent for disulfide bonds and to protect sulfhydryl groups from oxidation. | 2.08 | 1 | 0 | alkanethiol;
primary alcohol | geroprotector |
4-nonylphenol
4-nonylphenol: structure in first source; see also record for nonylphenol. 4-nonylphenol : A member of the class of phenols that is phenol which is para-substituted with a nonyl group. | 2.02 | 1 | 0 | phenols | environmental contaminant |
acetaminophen
Acetaminophen: Analgesic antipyretic derivative of acetanilide. It has weak anti-inflammatory properties and is used as a common analgesic, but may cause liver, blood cell, and kidney damage.. paracetamol : A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group. | 2.02 | 1 | 0 | acetamides;
phenols | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
4-cresol
4-cresol: RN given refers to parent cpd. p-cresol : A cresol that consists of toluene substituted by a hydroxy group at position 4. It is a metabolite of aromatic amino acid metabolism produced by intestinal microflora in humans and animals. | 2.02 | 1 | 0 | cresol | Escherichia coli metabolite;
human metabolite;
uremic toxin |
4-chlorophenol
4-chlorophenol: used as a root canal irrigant. 4-chlorophenol : A monochlorophenol substituted at the pare position by a chlorine atom. | 2.02 | 1 | 0 | monochlorophenol | |
propofol
Propofol: An intravenous anesthetic agent which has the advantage of a very rapid onset after infusion or bolus injection plus a very short recovery period of a couple of minutes. (From Smith and Reynard, Textbook of Pharmacology, 1992, 1st ed, p206). Propofol has been used as ANTICONVULSANTS and ANTIEMETICS.. propofol : A phenol resulting from the formal substitution of the hydrogen at the 2 position of 1,3-diisopropylbenzene by a hydroxy group. | 2.02 | 1 | 0 | phenols | anticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative |
resorcinol
resorcinol: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7951. resorcinol : A benzenediol that is benzene dihydroxylated at positions 1 and 3. | 2.02 | 1 | 0 | benzenediol;
phenolic donor;
resorcinols | erythropoietin inhibitor;
sensitiser |
salicyl alcohol
salicyl alcohol: RN given refers to parent cpd; saligenin is the aglycone of salicin; structure; it is oxidatively metabolized to gentisic acid. salicyl alcohol : A hydroxybenzyl alcohol that is phenol substituted by a hydroxymethyl group at C-2. | 2.02 | 1 | 0 | aromatic primary alcohol;
hydroxybenzyl alcohol | human urinary metabolite |
2-aminophenol
[no description available] | 2.02 | 1 | 0 | aminophenol | bacterial metabolite |
aniline
[no description available] | 2.08 | 1 | 0 | anilines;
primary arylamine | |
3,5-dimethylpyrazole
3,5-dimethylpyrazole: RN given refers to parent cpd | 2.08 | 1 | 0 | | |
trifluoroacetic acid
Trifluoroacetic Acid: A very strong halogenated derivative of acetic acid. It is used in acid catalyzed reactions, especially those where an ester is cleaved in peptide synthesis.. trifluoroacetic acid : A monocarboxylic acid that is the trifluoro derivative of acetic acid. | 2.08 | 1 | 0 | fluoroalkanoic acid | human xenobiotic metabolite;
NMR chemical shift reference compound;
reagent |
bisphenol a
4,4'-isopropylidene diphenol: stimulates proliferative responses and cytokine productions of murine spleen cells and thymus cells in vitro. bisphenol : By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom.. bisphenol A : A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups. | 2.02 | 1 | 0 | bisphenol | endocrine disruptor;
environmental contaminant;
xenobiotic;
xenoestrogen |
2-tert-butylphenol
[no description available] | 2.02 | 1 | 0 | alkylbenzene | |
2,6-di-tert-butyl-4-hydroxymethylphenol
2,6-di-tert-butyl-4-hydroxymethylphenol: structure given in first source | 2.02 | 1 | 0 | alkylbenzene | |
2-isopropylphenol
2-isopropylphenol: structure given in first source. 2-isopropylphenol : A member of the class of phenols carrying an isopropyl group at position 2. | 2.02 | 1 | 0 | phenols | |
2-nitrophenol
nitrophenol : Any member of the class of phenols or substituted phenols carrying at least 1 nitro group. | 2.02 | 1 | 0 | 2-nitrophenols | |
2-ethylphenol
2-ethylphenol: structure in first source | 2.02 | 1 | 0 | phenols | |
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 | 1 | 0 | hydroxybiphenyls | antifungal agrochemical;
environmental food contaminant |
pyrogallol 1,3-dimethyl ether
pyrogallol 1,3-dimethyl ether: structure. 2,6-dimethoxyphenol : A member of the class of phenols that is phenol substituted by methoxy groups at positions 2 and 6. | 2.02 | 1 | 0 | dimethoxybenzene;
phenols | plant metabolite |
2-bromophenol
bromophenol : A halophenol that is any phenol containing one or more covalently bonded bromine atoms. | 2.02 | 1 | 0 | bromophenol | marine metabolite |
2-chlorophenol
chlorophenol : A halophenol that is any phenol containing one or more covalently bonded chlorine atoms. | 2.02 | 1 | 0 | 2-halophenol;
monochlorophenol | |
2-amino-4-methylphenol
2-amino-4-methylphenol: structure in first source | 2.02 | 1 | 0 | | |
2,4-di-tert-butylphenol
2,4-di-tert-butylphenol: structure given in first source. 2,4-di-tert-butylphenol : A member of the class of phenols carrying two tert-butyl substituents at positions 2 and 4. | 2.02 | 1 | 0 | alkylbenzene;
phenols | antioxidant;
bacterial metabolite;
marine metabolite |
butylphen
butylphen: irritant; structure. 4-tert-butylphenol : A member of the class of phenols that is phenol substituted with a tert-butyl group at position 4. | 2.02 | 1 | 0 | phenols | allergen |
nitrobenzene
nitrobenzene : A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline. | 2.08 | 1 | 0 | nitroarene;
nitrobenzenes | |
3-dimethylaminophenol
[no description available] | 2.02 | 1 | 0 | | |
4-hydroxyacetophenone
4-hydroxyacetophenone: promotes secretion of bile & bile salts, which promotes griseofulvin absorption in the duodenum. 4'-hydroxyacetophenone : A monohydroxyacetophenone carrying a hydroxy substituent at position 4'. | 2.45 | 2 | 0 | monohydroxyacetophenone | fungal metabolite;
mouse metabolite;
plant metabolite |
ethylbenzene
[no description available] | 2.08 | 1 | 0 | alkylbenzene | |
2,4-dimethylphenol
2,4-dimethylphenol: RN given refers to parent cpd. 2,4-xylenol : A member of the class of phenols that phenol substituted by methyl groups at positions 2 and 4. | 2.02 | 1 | 0 | aromatic fungicide;
phenols | disinfectant;
volatile oil component |
4-bromophenol
4-bromophenol : A bromophenol containing only hydroxy and bromo substituents that are para to one another. | 2.02 | 1 | 0 | bromophenol | human urinary metabolite;
human xenobiotic metabolite;
marine metabolite;
mouse metabolite;
persistent organic pollutant;
rat metabolite |
4-xylene
p-xylene : A xylene with methyl groups at positions 1 and 4. | 2.08 | 1 | 0 | xylene | |
3-chlorophenol
3-chlorophenol : A monochlorophenol carrying the chloro substituent at position 3. | 2.02 | 1 | 0 | monochlorophenol | |
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. | 2.02 | 1 | 0 | dimethoxybenzene;
hydroxybenzaldehyde | hypoglycemic agent;
plant metabolite |
3-hydroxyanisole
3-hydroxyanisole: structure in first source. 3-methoxyphenol : A member of the class of phenols that is phenol having a methoxy-substituent at the 3-position. | 2.02 | 1 | 0 | monomethoxybenzene;
phenols | |
mequinol
mequinol: depigmenting agent; RN given refers to parent cpd | 2.02 | 1 | 0 | methoxybenzenes;
phenols | metabolite |
2-fluorophenol
fluorophenol : A halophenol that is any phenol containing one or more covalently bonded fluorine atoms. | 2.02 | 1 | 0 | | |
4-fluorophenol
4-fluorophenol: structure given in first source. 4-fluorophenol : A fluorophenol that is phenol in which the hydrogen para- to the hydroxy group has been replaced by a fluorine. | 2.02 | 1 | 0 | fluorophenol;
monofluorobenzenes | |
3-fluorophenol
3-fluorophenol: structure in first source | 2.02 | 1 | 0 | | |
4-methylcatechol
[no description available] | 2.02 | 1 | 0 | methylcatechol | antioxidant;
carcinogenic agent;
hapten;
human metabolite;
plant metabolite |
topanol 354
Topanol 354: structure | 2.02 | 1 | 0 | methoxybenzenes;
phenols | |
2,4,6-trimethylphenol
[no description available] | 2.02 | 1 | 0 | hydroxytoluene | |
2-iodophenol
[no description available] | 2.02 | 1 | 0 | 2-halophenol;
iodophenol | |
4-iodophenol
[no description available] | 2.02 | 1 | 0 | iodophenol | |
3-nitrophenol
[no description available] | 2.02 | 1 | 0 | 3-nitrophenols | |
2,6-xylenol
[no description available] | 2.02 | 1 | 0 | hydroxytoluene | |
3-bromophenol
[no description available] | 2.02 | 1 | 0 | | |
3-aminophenol
3-aminophenol: RN given refers to parent cpd. 3-aminophenol : An aminophenol that is one of three amino derivatives of phenol which has the single amino substituent located meta to the phenolic -OH group. | 2.02 | 1 | 0 | aminophenol | |
2-cyanophenol
2-cyanophenol: structure in first source | 2.45 | 2 | 0 | benzenes;
nitrile | |
3-ethylphenol
[no description available] | 2.02 | 1 | 0 | phenols | |
3-hydroxyacetanilide
metacetamol : A derivative of phenol which has an acetamido substituent located meta to the phenolic -OH group. It is a non-toxic regioisomer of paracetamol with analgesic properties, but has never been marketed as a drug. | 2.02 | 1 | 0 | acetamides;
phenols | non-narcotic analgesic |
4-Ethoxyphenol
[no description available] | 2.02 | 1 | 0 | aromatic ether;
phenols | |
4-propylphenol
4-propylphenol: structure given in first source | 2.46 | 2 | 0 | alkylbenzene | |
2,4,6-tri-tert-butylphenol
[no description available] | 2.02 | 1 | 0 | | |
4-cyanophenol
4-cyanophenol: reversible monoamine oxidase inhibitor | 2.02 | 1 | 0 | phenols | EC 1.4.3.4 (monoamine oxidase) inhibitor |
4-phenoxyphenol
[no description available] | 2.02 | 1 | 0 | phenoxyphenol | |
2-phenylpropanol
2-phenylpropanol-1: RN given refers to cpd without isomeric designation | 2.08 | 1 | 0 | benzenes | |
4-n-Butylphenol
[no description available] | 2.02 | 1 | 0 | phenols | |
2-allylphenol
2-allylphenol: structure given in first source. 2-allylphenol : A member of the class of phenols that is phenol carrying an allyl group at position 2. | 2.08 | 1 | 0 | phenols | antifungal agrochemical |
4-octylphenol
4-octylphenol: xenoestrogen. 4-octylphenol : A member of the class of phenols that is phenol which is substituted at the para- position by an octyl group. | 2.02 | 1 | 0 | phenols | metabolite;
surfactant;
xenoestrogen |
2-tert-butyl-4-methylphenol
2-tert-butyl-4-methylphenol: RN given refers to cpd with locants | 2.02 | 1 | 0 | | |
acetosyringone
acetosyringone: plant inducer which induces expression of VirE & VirG in A. tumefaciens. 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. | 2.02 | 1 | 0 | acetophenones;
dimethoxybenzene;
phenols | anti-asthmatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite |
butylated hydroxyanisole
[no description available] | 2.02 | 1 | 0 | | |
4-n-Pentylphenol
[no description available] | 2.02 | 1 | 0 | phenols | |
4-ethylphenol
4-ethylphenol: RN given refers to parent cpd. 4-ethylphenol : A member of the class of phenols carrying an ethyl substituent at position 4. | 2.02 | 1 | 0 | phenols | fungal xenobiotic metabolite |
butylated hydroxytoluene
2,6-di-tert-butyl-4-methylphenol : A member of the class of phenols that is 4-methylphenol substituted by tert-butyl groups at positions 2 and 6. | 2.02 | 1 | 0 | phenols | antioxidant;
ferroptosis inhibitor;
food additive;
geroprotector |
2,6-di-tert-butylphenol
2,6-di-tert-butylphenol: RN given refers to parent cpd. 2,6-di-tert-butylphenol : A member of the class of phenols carrying two tert-butyl substituents at positions 2 and 6. | 2.02 | 1 | 0 | alkylbenzene;
phenols | antioxidant |
4-hydroxybenzamide
[no description available] | 2.02 | 1 | 0 | | |
guaethol
[no description available] | 2.02 | 1 | 0 | aromatic ether;
phenols;
volatile organic compound | flavouring agent |
2,6-di-tert-butyl-4-nitrophenol
2,6-di-tert-butyl-4-nitrophenol: has been reported as a potential contaminant in submarines | 2.02 | 1 | 0 | | |
1,2-benzisoxazole
1,2-benzisoxazole: structure in first source. 1,2-benzoxazole : A benzoxazole in which the benzene ring is fused to a 1,2-oxazole ring across positions 4 and 5.. benzisoxazole : Compounds based on a fused 1,2-oxazole and benzene bicyclic ring skeleton. | 2.08 | 1 | 0 | 1,2-benzoxazoles;
mancude organic heterobicyclic parent | |
3,5-di-tert-butyl-4-hydroxybenzaldehyde
3,5-di-tert-butyl-4-hydroxybenzaldehyde: structure in first source | 2.02 | 1 | 0 | hydroxybenzaldehyde | |
4-chloro-3-ethylphenol
[no description available] | 2.08 | 1 | 0 | | |
equilenin
Equilenin: An estrogenic steroid produced by HORSES. It has a total of five double bonds in the A- and B-ring. High concentration of equilenin is found in the URINE of pregnant mares.. equilenin : A 3-hydroxy steroid that is estrone which carries two double bonds at positions 6 and 8. It is found in the urine of pregnant mare's and extensively used for estrogen replacement therapy in postmenopausal women. | 2.02 | 1 | 0 | 17-oxo steroid;
3-hydroxy steroid | antioxidant;
mammalian metabolite |
diethylstilbestrol
Diethylstilbestrol: A synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed). diethylstilbestrol : An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups. | 2.02 | 1 | 0 | olefinic compound;
polyphenol | antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen |
2-amino-4-nitrophenol
[no description available] | 2.02 | 1 | 0 | 4-nitrophenols | |
2-ethynylaniline
2-ethynylaniline: structure in first source | 2.08 | 1 | 0 | | |
sinapaldehyde
sinapyl aldehyde: structure in first source. (E)-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. | 2.02 | 1 | 0 | cinnamaldehydes;
dimethoxybenzene;
phenols | antifungal agent;
plant metabolite |
beta-damascenone
beta-damascenone: from Ipomoea pes-caprea; RN given refers to cpd without isomeric designation; RN 23726-93-4 refers to beta-damascenone; structure given in first source. beta-damascenone : A cyclic monoterpene ketone that is 2,6,6-trimethylcyclohexa-1,3-diene substituted at position 1 by a crotonoyl group. | 2.13 | 1 | 0 | apo carotenoid monoterpenoid;
cyclic monoterpene ketone;
enone | fragrance;
plant metabolite;
volatile oil component |
ubiquinone
Ubiquinone: A lipid-soluble benzoquinone which is involved in ELECTRON TRANSPORT in mitochondrial preparations. The compound occurs in the majority of aerobic organisms, from bacteria to higher plants and animals. | 2.41 | 1 | 0 | | |