| 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. | 2.02 | 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 |
catechol
[no description available] | 2.45 | 2 | 0 | catechols | allelochemical;
genotoxin;
plant metabolite |
3-methylcatechol
3-methylbenzene-1,2-diol: structure in first source. dihydroxytoluene : Any hydroxytoluene that has two hydroxy substituents. 3-methylcatechol : A methylcatechol carrying a methyl substituent at position 3. It is a xenobiotic metabolite produced by some bacteria capable of degrading nitroaromatic compounds present in pesticide-contaminated soil samples. | 3.24 | 6 | 0 | methylcatechol | bacterial xenobiotic metabolite |
3-chlorobenzoic acid
[no description available] | 2.92 | 4 | 0 | monochlorobenzoic acid | drug metabolite |
hydroquinone
[no description available] | 1.98 | 1 | 0 | benzenediol;
hydroquinones | antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent |
pyrogallol
benzenetriol : A triol in which three hydroxy groups are substituted onto a benzene ring. | 2.31 | 1 | 0 | benzenetriol;
phenolic donor | plant metabolite |
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 |
estrone
Hydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens. | 2.05 | 1 | 0 | 17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols | antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse 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. | 4.61 | 8 | 0 | tetrachlorophenol | xenobiotic metabolite |
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. | 2.1 | 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 |
trichloroethylene
Trichloroethylene: A highly volatile inhalation anesthetic used mainly in short surgical procedures where light anesthesia with good analgesia is required. It is also used as an industrial solvent. Prolonged exposure to high concentrations of the vapor can lead to cardiotoxicity and neurological impairment.. triol : A chemical compound containing three hydroxy groups. | 1.99 | 1 | 0 | chloroethenes | inhalation anaesthetic;
mouse metabolite |
1-chloro-2-nitrobenzene
[no description available] | 2.06 | 1 | 0 | C-nitro compound;
monochlorobenzenes | |
2-chlorophenol
chlorophenol : A halophenol that is any phenol containing one or more covalently bonded chlorine atoms. | 2.71 | 3 | 0 | 2-halophenol;
monochlorophenol | |
4-butyrolactone
4-Butyrolactone: One of the FURANS with a carbonyl thereby forming a cyclic lactone. It is an endogenous compound made from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. It is also used as a pharmacological agent and solvent.. tetrahydrofuranone : Any oxolane having an oxo- substituent at any position on the tetrahydrofuran ring.. gamma-butyrolactone : A butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2. | 2.44 | 2 | 0 | butan-4-olide | metabolite;
neurotoxin |
3-toluic acid
3-toluic acid: RN given refers to parent cpd; structure | 1.96 | 1 | 0 | methylbenzoic acid | human xenobiotic metabolite |
3-chlorophenol
3-chlorophenol : A monochlorophenol carrying the chloro substituent at position 3. | 2 | 1 | 0 | monochlorophenol | |
chlorobenzene
[no description available] | 7.7 | 3 | 0 | monochlorobenzenes | solvent |
2-chlorobenzoic acid
2-chlorobenzoic acid: RN given refers to parent cpd. chlorobenzoic acid : Any member of the class of benzoic acids in which the benzene ring is substituted by at least one chloro group.. 2-chlorobenzoic acid : A monochlorobenzoic acid having the chloro group at the 2-position. | 1.98 | 1 | 0 | 2-halobenzoic acid;
monochlorobenzoic acid | plant hormone;
plant metabolite |
1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt
1,2-Dihydroxybenzene-3,5-Disulfonic Acid Disodium Salt: A colorimetric reagent for iron, manganese, titanium, molybdenum, and complexes of zirconium. (From Merck Index, 11th ed) | 1.96 | 1 | 0 | organic molecular entity | |
diazomethane
Diazomethane: A diazonium compound with the formula CH2N2.. diazomethane : The simplest diazo compound, in which a diazo group is attached to a methylene group. | 1.99 | 1 | 0 | diazo compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
poison |
4-methylcatechol
[no description available] | 2.31 | 1 | 0 | methylcatechol | antioxidant;
carcinogenic agent;
hapten;
human metabolite;
plant metabolite |
benzohydroxamic acid
[no description available] | 2.03 | 1 | 0 | | |
hydroxyhydroquinone
benzene-1,2,4-triol : A benzenetriol carrying hydroxy groups at positions 1, 2 and 4. | 3.12 | 1 | 0 | benzenetriol | mouse metabolite |
4-chlorocatechol
4-chlorocatechol : A chlorocatechol that is catechol substituted by a chloro group at position 4. | 8.72 | 10 | 0 | chlorocatechol;
monochlorobenzenes | bacterial xenobiotic metabolite |
dithiothreitol
1,4-dimercaptobutane-2,3-diol : A glycol that is butane-2,3-diol in which a hydrogen from each of the methyl groups is replaced by a thiol group.. 1,4-dithiothreitol : The threo-diastereomer of 1,4-dimercaptobutane-2,3-diol. | 1.96 | 1 | 0 | 1,4-dimercaptobutane-2,3-diol;
butanediols;
dithiol;
glycol;
thiol | chelator;
human metabolite;
reducing agent |
ferrous sulfate
ferrous sulfate: Ferro-Gradumet is ferrous sulfate in controlled release form; RN given refers to Fe(+2)[1:1] salt. iron(2+) sulfate (anhydrous) : A compound of iron and sulfate in which the ratio of iron(2+) to sulfate ions is 1:1. Various hydrates occur naturally - most commonly the heptahydrate, which loses water to form the tetrahydrate at 57degreeC and the monohydrate at 65degreeC. | 1.96 | 1 | 0 | iron molecular entity;
metal sulfate | reducing agent |
chlorine
Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family. | 2 | 1 | 0 | diatomic chlorine;
gas molecular entity | bleaching agent |
ammonium chloride
Ammonium Chloride: An acidifying agent that has expectorant and diuretic effects. Also used in etching and batteries and as a flux in electroplating.. ammonium chloride : An inorganic chloride having ammonium as the counterion. | 1.99 | 1 | 0 | ammonium salt;
inorganic chloride | ferroptosis inhibitor |
3,5-dichlorocatechol
3,5-dichlorocatechol : A dichlorocatechol carrying chloro groups at positions 3 and 5. | 2.02 | 1 | 0 | dichlorocatechol | |
maleic acid
maleic acid: RN given refers to parent cpd(Z)-isomer which is maleic acid; all RR's given refer to (Z)-isomer; (E)-isomer is fumaric acid. maleic acid : A butenedioic acid in which the double bond has cis- (Z)-configuration. | 1.99 | 1 | 0 | butenedioic acid | algal metabolite;
mouse metabolite;
plant metabolite |
fumaric acid
fumaric acid: see also record for ferrous fumarate; use FUMARATES for general fumaric acid esters. fumaric acid : A butenedioic acid in which the C=C double bond has E geometry. It is an intermediate metabolite in the citric acid cycle. | 1.99 | 1 | 0 | butenedioic acid | food acidity regulator;
fundamental metabolite;
geroprotector |
sorbic acid
Sorbic Acid: Mold and yeast inhibitor. Used as a fungistatic agent for foods, especially cheeses.. (2E,4E)-hexa-2,4-dienoic acid : A sorbic acid having trans-double bonds at positions 2 and 4; a food preservative that can induce cutaneous vasodilation and stinging upon topical application to humans. It is the most thermodynamically stable of the four possible geometric isomers possible, as well as the one with the highest antimicrobial activity.. sorbic acid : A hexadienoic acid with double bonds at C-2 and C-4; it has four geometrical isomers, of which the trans,trans-form is naturally occurring. | 3.26 | 6 | 0 | alpha,beta-unsaturated monocarboxylic acid;
sorbic acid | |
isopropyl thiogalactoside
Isopropyl Thiogalactoside: A non-metabolizable galactose analog that induces expression of the LAC OPERON.. isopropyl beta-D-thiogalactopyranoside : An S-glycosyl compound consisting of beta-D-1-thiogalactose having an isopropyl group attached to the anomeric sulfur. | 1.97 | 1 | 0 | S-glycosyl compound | |
dienelactone
dienelactone: structure given in first source | 2.44 | 2 | 0 | 4-carboxymethylenebut-2-en-4-olide | |
4-hydroxyestradiol
4-hydroxyestradiol: catechol estrogen. 4-hydroxy-17beta-estradiol : A 4-hydroxy steroid that consists of 17beta-estradiol having an additional hydroxy group at position 4. | 2.05 | 1 | 0 | 4-hydroxy steroid | metabolite |
muconic acid
muconic acid: a metabolite of benzene; reported to be a reliable indicator of occupational exposure to benzene; structure given in first source. trans,trans-muconic acid : The trans,trans-isomer of muconic acid. It is metabolite of benzene in humans and serves as a biomarker of occupational exposure to benzene.. muconic acid : A hexadienedioic acid with unsaturation at positions 2 and 4. | 1.99 | 1 | 0 | muconic acid | biomarker;
human xenobiotic metabolite |
fumarates
Fumarates: Compounds based on fumaric acid.. fumarate(2-) : A C4-dicarboxylate that is the E-isomer of but-2-enedioate(2-) | 1.99 | 1 | 0 | butenedioate;
C4-dicarboxylate | human metabolite;
metabolite;
Saccharomyces cerevisiae metabolite |
2-chloromuconic acid
2-chloromuconic acid: structure in first source. chloromuconic acid : A chlorocarboxylic acid that is muconic acid substituted by at least one chloro group. | 2.93 | 4 | 0 | | |
4-hydroxyestrone
4-hydroxyestrone : A 4-hydroxy steroid that is estrone substituted by a hydroxy group at position 4. | 2.05 | 1 | 0 | 17-oxo steroid;
3-hydroxy steroid;
4-hydroxy steroid;
catechols;
phenolic steroid | carcinogenic agent;
estrogen;
human urinary metabolite |
5-chloromuconolactone
5-chloromuconolactone: structure in first source. 5-chloromuconolactone : A 5-oxo-2-furylacetic acid that is muconolactone substituted at position 5 by a chloro group. | 2.44 | 2 | 0 | 5-oxo-2-furylacetic acid;
chlorocarboxylic acid | bacterial xenobiotic metabolite |
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. | 1.98 | 1 | 0 | monohydroxybenzoate | plant metabolite |