| 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 |
acetic acid
Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed). acetic acid : A simple monocarboxylic acid containing two carbons. | 2.04 | 1 | 0 | monocarboxylic acid | antimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent |
ammonium hydroxide
azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2. | 2.03 | 1 | 0 | azane;
gas molecular entity;
mononuclear parent hydride | EC 3.5.1.4 (amidase) inhibitor;
metabolite;
mouse metabolite;
neurotoxin;
NMR chemical shift reference compound;
nucleophilic reagent;
refrigerant |
benzoic acid
Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.. aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring. | 2.04 | 1 | 0 | benzoic acids | algal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
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. | 2.02 | 1 | 0 | guaiacols | disinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite |
formaldehyde
paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy | 2.02 | 1 | 0 | aldehyde;
one-carbon compound | allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
hydrogen
Hydrogen: The first chemical element in the periodic table with atomic symbol H, and atomic number 1. Protium (atomic weight 1) is by far the most common hydrogen isotope. Hydrogen also exists as the stable isotope DEUTERIUM (atomic weight 2) and the radioactive isotope TRITIUM (atomic weight 3). Hydrogen forms into a diatomic molecule at room temperature and appears as a highly flammable colorless and odorless gas.. dihydrogen : An elemental molecule consisting of two hydrogens joined by a single bond. | 2.03 | 1 | 0 | elemental hydrogen;
elemental molecule;
gas molecular entity | antioxidant;
electron donor;
food packaging gas;
fuel;
human 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 |
methanol
Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group. | 2.02 | 1 | 0 | alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound | amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite |
1-octanol
1-Octanol: A colorless, slightly viscous liquid used as a defoaming or wetting agent. It is also used as a solvent for protective coatings, waxes, and oils, and as a raw material for plasticizers. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). octan-1-ol : An octanol carrying the hydroxy group at position 1. | 2.21 | 1 | 0 | octanol;
primary alcohol | antifungal agent;
bacterial metabolite;
fuel additive;
kairomone;
plant metabolite |
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. | 2.02 | 1 | 0 | 4-nitrophenols | human xenobiotic metabolite;
mouse metabolite |
phenol
[no description available] | 2.44 | 2 | 0 | phenols | antiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite |
propionic acid
propionic acid : A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group. | 2.04 | 1 | 0 | saturated fatty acid;
short-chain fatty acid | antifungal drug |
pyridine
azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'. | 2.04 | 1 | 0 | azaarene;
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
pyridines | environmental contaminant;
NMR chemical shift reference compound |
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 |
celecoxib
[no description available] | 2.04 | 1 | 0 | organofluorine compound;
pyrazoles;
sulfonamide;
toluenes | cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
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 |
ibuprofen
Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine | 2.13 | 1 | 0 | monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic |
4-chlorophenol
4-chlorophenol: used as a root canal irrigant. 4-chlorophenol : A monochlorophenol substituted at the pare position by a chlorine atom. | 2.46 | 2 | 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 |
fluoroacetic acid
fluoroacetic acid: N1 same as NM; RN given refers to parent cpd. fluoroacetic acid : A haloacetic acid that is acetic acid in which one of the methyl hydrogens is substituted by fluorine. | 2.04 | 1 | 0 | haloacetic acid;
organofluorine compound | EC 4.2.1.3 (aconitate hydratase) inhibitor |
triclosan
[no description available] | 2.13 | 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 |
2-aminophenol
[no description available] | 2.02 | 1 | 0 | aminophenol | bacterial metabolite |
2,3,4,6-tetrachlorophenol
2,3,4,6-tetrachlorophenol: RN given refers to parent cpd; see also record for tetrachlorophenol with locants for chloro groups not specified. 2,3,4,6-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 6. | 2.46 | 2 | 0 | tetrachlorophenol | xenobiotic metabolite |
aniline
[no description available] | 2.04 | 1 | 0 | anilines;
primary arylamine | |
mannitol
[no description available] | 2.02 | 1 | 0 | mannitol | allergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent |
ethylamine
ethylamine : A two-carbon primary aliphatic amine. | 2.04 | 1 | 0 | primary aliphatic amine | human metabolite |
acetonitrile
acetonitrile: RN given refers to unlabeled cpd. acetonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group. | 2.06 | 1 | 0 | aliphatic nitrile;
volatile organic compound | EC 3.5.1.4 (amidase) inhibitor;
NMR chemical shift reference compound;
polar aprotic solvent |
trifluoroethanol
Trifluoroethanol: A non-aqueous co-solvent that serves as tool to study protein folding. It is also used in various pharmaceutical, chemical and engineering applications. | 2.04 | 1 | 0 | fluoroalcohol | |
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. | 2.04 | 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 | |
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 |
quinoline
[no description available] | 2.04 | 1 | 0 | azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinolines | |
2-bromophenol
bromophenol : A halophenol that is any phenol containing one or more covalently bonded bromine atoms. | 2.46 | 2 | 0 | bromophenol | marine metabolite |
2-chlorophenol
chlorophenol : A halophenol that is any phenol containing one or more covalently bonded chlorine atoms. | 2.46 | 2 | 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 |
3-aminobenzotrifluoride
[no description available] | 2.04 | 1 | 0 | | |
3-trifluoromethylphenol
3-trifluoromethylphenol: structure in first source | 2.04 | 1 | 0 | (trifluoromethyl)benzenes | |
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 |
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'. | 2.02 | 1 | 0 | monohydroxyacetophenone | fungal metabolite;
mouse metabolite;
plant metabolite |
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. | 2.46 | 2 | 0 | bromophenol | human urinary metabolite;
human xenobiotic metabolite;
marine metabolite;
mouse metabolite;
persistent organic pollutant;
rat metabolite |
propylamine
propylamine : A member of the class of alkylamines that is propane substituted by an amino group at C-1. | 2.04 | 1 | 0 | alkylamines | |
3-chlorophenol
3-chlorophenol : A monochlorophenol carrying the chloro substituent at position 3. | 2.43 | 2 | 0 | monochlorophenol | |
n-butylamine
n-butylamine: RN given refers to parent cpd. butan-1-amine : A primary aliphatic amine that is butane substituted by an amino group at position 1. | 2.04 | 1 | 0 | primary aliphatic amine | |
cyclohexane
Cyclohexane: C6H12. cyclohexane : An alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon. | 2.06 | 1 | 0 | cycloalkane;
volatile organic compound | non-polar solvent |
piperidine
[no description available] | 2.04 | 1 | 0 | azacycloalkane;
piperidines;
saturated organic heteromonocyclic parent;
secondary amine | base;
catalyst;
human metabolite;
non-polar solvent;
plant metabolite;
protic solvent;
reagent |
2,4-dichlorophenol
2,4-dichlorophenol: RN given refers to unlabeled parent+ cpd; structure. 2,4-dichlorophenol : A dichlorophenol that is phenol carrying chloro substituents at positions 2 and 4. | 2.13 | 1 | 0 | dichlorophenol | |
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 |
nitrilotriacetic acid
Nitrilotriacetic Acid: A derivative of acetic acid, N(CH2COOH)3. It is a complexing (sequestering) agent that forms stable complexes with Zn2+. (From Miall's Dictionary of Chemistry, 5th ed.) | 2.02 | 1 | 0 | NTA;
tricarboxylic acid | carcinogenic agent;
nephrotoxic agent |
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 |
cyclopentane
Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution. | 2.11 | 1 | 0 | cycloalkane;
cyclopentanes;
volatile organic compound | non-polar solvent |
2-fluoroaniline
2-fluoroaniline: structure given in first source; RN given refers to parent compound. 2-fluoroaniline : A derivative of aniline in which the hydrogen at position 2 has been substituted by fluorine. It is used as a pharmaceutical intermediate | 2.04 | 1 | 0 | fluoroaniline;
primary arylamine | |
4-fluoroaniline
4-fluoroaniline: chemical intermediate manufactured by the Halex process; RN given refers to parent cpd; structure given in first source. 4-fluoroaniline : A primary arylamine that is the derivative of aniline in which the hydrogen at position 4 has been substituted by fluorine. It is used as an intermediate in the manufacture of pharmaceuticals, herbicides and plant growth regulators. | 2.04 | 1 | 0 | fluoroaniline;
primary arylamine | |
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. | 3.44 | 7 | 0 | fluorophenol;
monofluorobenzenes | |
3-fluoroaniline
3-fluoroaniline: structure given in first source. 3-fluoroaniline : A derivative of aniline in which the hydrogen at position 3 has been substituted by fluorine. It is used as a pharmaceutical intermediate. | 2.04 | 1 | 0 | fluoroaniline;
primary arylamine | |
3-fluorophenol
3-fluorophenol: structure in first source | 3.29 | 6 | 0 | | |
2-fluoropyridine
[no description available] | 2.04 | 1 | 0 | | |
trifluoroethylamine
trifluoroethylamine: RN given refers to cpd with unspecified fluorine locants | 2.04 | 1 | 0 | | |
difluoroacetic acid
[no description available] | 2.04 | 1 | 0 | monocarboxylic acid;
organofluorine compound | |
2-fluorobenzoic acid
2-fluorobenzoic acid: RN given refers to parent cpd. 2-fluorobenzoic acid : A 2-halobenzoic acid that is benzoic acid carrying a fluoro substituent at position 2.. fluorobenzoic acid : Any benzoic acid carrying at least one fluoro substituent on the benzene ring. Fluorobenzoic acids are important intermediates in the synthesis of antibacterial drugs. | 2.04 | 1 | 0 | 2-halobenzoic acid;
fluorobenzoic acid | |
4-methylcatechol
[no description available] | 2.02 | 1 | 0 | methylcatechol | antioxidant;
carcinogenic agent;
hapten;
human metabolite;
plant metabolite |
4-trifluoromethylaniline
4-trifluoromethylaniline : A substituted aniline that is a benzene ring substituted with an amino group at position 1 and a trifluoromethyl group at position 4. | 2.04 | 1 | 0 | (trifluoromethyl)benzenes;
substituted aniline | metabolite |
3-fluorobenzoic acid
[no description available] | 2.04 | 1 | 0 | fluorobenzoic acid | |
4-fluorobenzoic acid
[no description available] | 2.04 | 1 | 0 | fluorobenzoic acid | bacterial xenobiotic metabolite |
2-fluoroethylamine
2-fluoroethylamine: structure in first source | 2.04 | 1 | 0 | | |
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] | 2.42 | 2 | 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 | |
n,n-dimethylethylamine
[no description available] | 2.04 | 1 | 0 | | |
2-cyanophenol
2-cyanophenol: structure in first source | 2.02 | 1 | 0 | benzenes;
nitrile | |
2,4-dibromophenol
2,4-dibromophenol : A bromophenol that is phenol in which the hydrogens at positions 2 and 4 have been replaced by bromines. | 2.13 | 1 | 0 | brominated flame retardant;
bromophenol;
dibromobenzene | marine metabolite |
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 | |
2-propylphenol
2-propylphenol : A member of the class of phenols that is phenol which is substituted by a propyl group at position 2. | 2.02 | 1 | 0 | phenols | flavouring agent;
plant metabolite |
4-propylphenol
4-propylphenol: structure given in first source | 2.02 | 1 | 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 | |
cyclopentenone
2-cyclopenten-1-one : An enone that is cyclopentanone having a C=C double bond at position 2. | 2.11 | 1 | 0 | alicyclic ketone;
enone | Hsp70 inducer |
4-n-Butylphenol
[no description available] | 2.02 | 1 | 0 | phenols | |
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 | |
fluorides
[no description available] | 2.44 | 2 | 0 | halide anion;
monoatomic fluorine | |
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 |
nitroaniline
nitroaniline: RN given refers to cpd with unspecified locant for nitro moiety. nitroaniline : A substituted aniline that carries one or more nitro groups. | 2.21 | 1 | 0 | | |
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 | | |
3,5-di-tert-butyl-4-hydroxybenzaldehyde
3,5-di-tert-butyl-4-hydroxybenzaldehyde: structure in first source | 2.02 | 1 | 0 | hydroxybenzaldehyde | |
sc 58125
1-((4-methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole: a COX-2 inhibitor | 2.04 | 1 | 0 | organofluorine compound;
pyrazoles;
sulfone | antineoplastic agent;
cyclooxygenase 2 inhibitor |
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 | |
sitagliptin
sitagliptin : A triazolopyrazine that exhibits hypoglycemic activity. | 2.04 | 1 | 0 | triazolopyrazine;
trifluorobenzene | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic |
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 |
oxalates
Oxalates: Derivatives of OXALIC ACID. Included under this heading are a broad variety of acid forms, salts, esters, and amides that are derived from the ethanedioic acid structure. | 2.02 | 1 | 0 | | |
sc 236
4-(5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide: SC58236 = SC236 re email from Harris, Ray 2.04 | 1 | 0 | | | |
l-873724
L-873724: a selective inhibitor of cathepsin K; structure in first source | 2.04 | 1 | 0 | | |
n-(3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl)-2-methyl-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propanamide
N-(3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl)-2-methyl-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propanamide: MK-0364 is the (1S,2S)-isomer; a cannabinoid-1 receptor inverse agonist; structure in first source | 2.04 | 1 | 0 | stilbenoid | |
aprepitant
Aprepitant: A morpholine neurokinin-1 (NK1) receptor antagonist that is used in the management of nausea and vomiting caused by DRUG THERAPY, and for the prevention of POSTOPERATIVE NAUSEA AND VOMITING.. aprepitant : A morpholine-based antiemetic, which is or the prevention of acute and delayed nausea and vomiting associated with initial and repeat courses of highly emetogenic cancer chemotherapy. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors. | 2.04 | 1 | 0 | (trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles | antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist |
l 742694
L 742694: a neurokinin-1 receptor antagonist; structure given in first source | 2.04 | 1 | 0 | | |