| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
3-phenylpropionic acid
3-phenylpropionic acid: RN given refers to parent cpd. 3-phenylpropionic acid : A monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group. | 1.95 | 1 | 0 | benzenes;
monocarboxylic acid | antifungal agent;
human metabolite;
plant metabolite |
benzene
[no description available] | 1.95 | 1 | 0 | aromatic annulene;
benzenes;
volatile organic compound | carcinogenic agent;
environmental contaminant;
non-polar solvent |
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. | 1.95 | 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 |
octane
Octanes: Eight-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. octane : A straight chain alkane composed of 8 carbon atoms. | 2.03 | 1 | 0 | alkane | xenobiotic |
naphthalene
[no description available] | 1.95 | 1 | 0 | naphthalenes;
ortho-fused bicyclic arene | apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component |
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: A member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group. | 1.99 | 1 | 0 | 4-nitrophenols | human xenobiotic metabolite;
mouse metabolite |
phenylacetic acid
phenylacetic acid : A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group. | 1.99 | 1 | 0 | benzenes;
monocarboxylic acid;
phenylacetic acids | allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin |
toluene
methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups. | 1.95 | 1 | 0 | methylbenzene;
toluenes;
volatile organic compound | cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent |
1-anilino-8-naphthalenesulfonate
1-anilino-8-naphthalenesulfonate: RN given refers to parent cpd. 8-anilinonaphthalene-1-sulfonic acid : A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid substituted by a phenylamino group at position 8. | 2.03 | 1 | 0 | aminonaphthalene;
naphthalenesulfonic acid | fluorescent probe |
disulfiram
[no description available] | 1.96 | 1 | 0 | organic disulfide;
organosulfur acaricide | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor |
4-phenylbutyric acid
4-phenylbutyric acid: RN refers to the parent cpd. 4-phenylbutyric acid : A monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4. It is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apoptosis in glioma cells. It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of foetal haemoglobin through transcriptional activation of the gamma-globin gene and affects hPPARgamma activation. | 1.95 | 1 | 0 | monocarboxylic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug |
penicillin g
Penicillin G: A penicillin derivative commonly used in the form of its sodium or potassium salts in the treatment of a variety of infections. It is effective against most gram-positive bacteria and against gram-negative cocci. It has also been used as an experimental convulsant because of its actions on GAMMA-AMINOBUTYRIC ACID mediated synaptic transmission.. benzylpenicillin : A penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group. | 1.99 | 1 | 0 | penicillin allergen;
penicillin | antibacterial drug;
drug allergen;
epitope |
2-naphthoic acid
2-naphthoic acid: RN given refers to parent cpd. 2-naphthoic acid : A naphthoic acid that is naphthalene carrying a carboxy group at position 2. | 1.95 | 1 | 0 | naphthoic acid | mouse metabolite;
xenobiotic metabolite |
indene
indene: structure in first source. 1H-indene : An ortho-fused bicyclic arene comprising of benzene and cyclopentene rings. | 1.95 | 1 | 0 | indene;
ortho-fused bicyclic arene | |
4-tert-butylbenzoic acid
4-tert-butylbenzoic acid: RN given refers to parent cpd | 1.95 | 1 | 0 | alkylbenzene | |
nitrobenzene
nitrobenzene : A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline. | 1.95 | 1 | 0 | nitroarene;
nitrobenzenes | |
3-toluic acid
3-toluic acid: RN given refers to parent cpd; structure | 1.95 | 1 | 0 | methylbenzoic acid | human xenobiotic metabolite |
4-toluic acid
4-toluic acid: RN given refers to parent cpd; structure. p-toluic acid : A methylbenzoic acid in which the methyl substituent is located at position 4. | 1.95 | 1 | 0 | methylbenzoic acid | |
ethylbenzene
[no description available] | 1.95 | 1 | 0 | alkylbenzene | |
chlorobenzene
[no description available] | 1.95 | 1 | 0 | monochlorobenzenes | solvent |
pentane
Pentanes: Five-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. pentane : A straight chain alkane consisting of 5 carbon atoms. | 1.95 | 1 | 0 | alkane;
volatile organic compound | non-polar solvent;
refrigerant |
cyclohexene
cyclohexene : A cycloalkene that is cylohexane with a single double bond. | 1.95 | 1 | 0 | cycloalkene | |
anthracene
acene : A polycyclic aromatic hydrocarbon consisting of fused benzene rings in a rectilinear arrangement.. acenes : Polycyclic aromatic hydrocarbons consisting of fused benzene rings in a rectilinear arrangement and their substitution derivatives. | 1.95 | 1 | 0 | acene;
anthracenes;
ortho-fused tricyclic hydrocarbon | |
azulene
[no description available] | 1.95 | 1 | 0 | azulenes;
mancude carbobicyclic parent;
ortho-fused bicyclic arene | plant metabolite;
volatile oil component |
2,2,4-trimethylpentane
2,2,4-trimethylpentane: nephrotoxic. isooctane : An alkane that consists of pentane bearing two methyl substituents at position 2 and a single methyl substituent at position 4. | 2.03 | 1 | 0 | alkane;
volatile organic compound | fuel additive;
nephrotoxin;
non-polar solvent |
malachite green
malachite green: RN given refers to parent cpd; structure. malachite green : An organic chloride salt that is the monochloride salt of malachite green cation. Used as a green-coloured dye, as a counter-stain in histology, and for its anti-fungal properties in aquaculture. | 2.01 | 1 | 0 | organic chloride salt | antibacterial agent;
antifungal drug;
carcinogenic agent;
environmental contaminant;
fluorochrome;
histological dye;
teratogenic agent |
c.i. 42510
Rosaniline Dyes: Compounds that contain the triphenylmethane aniline structure found in rosaniline. Many of them have a characteristic magenta color and are used as COLORING AGENTS.. basic fuchsin : A four-component mixture of chemically related dyes comprising pararosanilin, rosanilin, magenta II and new fuchsin in varying amounts. rosanilin : A hydrochloride that is the monohydrochloride of 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline. One of the major constituents of Basic fuchsin, together with pararosanilin, magenta II and new fuchsin. | 2.01 | 1 | 0 | | |
4-nitrophenyl acetate
[no description available] | 2.69 | 3 | 0 | C-nitro compound;
phenyl acetates | |
ethyl n-alpha-acetyl-tyrosinate
ethyl N-alpha-acetyl-tyrosinate: RN given refers to parent cpd. ethyl N-acetyl-L-tyrosinate : An L-tyrosine derivative that is the ethyl ester of N-acetyltyrosine. | 1.95 | 1 | 0 | acetamides;
ethyl ester;
L-tyrosine derivative;
phenols | |
diethyl acetamidomalonic acid
diethyl acetamidomalonic acid: RN given refers to unlabeled parent cpd | 1.95 | 1 | 0 | | |
methyl hippurate
methyl hippurate : A glycine derivative that is the methyl ester of hippuric acid. | 1.95 | 1 | 0 | glycine derivative;
methyl ester | metabolite |
n-benzyloxycarbonylglycine 4-nitrophenyl ester
N-benzyloxycarbonylglycine 4-nitrophenyl ester: hydrolyzed by papain | 1.95 | 1 | 0 | | |
molybdenum
Molybdenum: A metallic element with the atomic symbol Mo, atomic number 42, and atomic weight 95.95. It is an essential trace element, being a component of the enzymes xanthine oxidase, aldehyde oxidase, and nitrate reductase. | 2.01 | 1 | 0 | chromium group element atom | micronutrient |
monoammonium molybdate
ammonium molybdate: RN given refers to unspecified ammonium molybdate salt. ammonium molybdate : An ammonium salt composed of ammonium and molybdate ions in a 2:1 ratio. | 2.01 | 1 | 0 | ammonium salt | poison |
4-nitrophenyl butyrate
p-nitrophenyl butyrate : A butyrate ester resulting from the formal condensation of the hydroxy group of 4-nitrophenol with the carboxy group of butyric acid. | 1.95 | 1 | 0 | butyrate ester;
C-nitro compound | |
phenyl hippurate
[no description available] | 1.95 | 1 | 0 | | |
benzoyltyrosine ethyl ester
ethyl N-benzoyl-L-tyrosinate : An L-tyrosine derivative that is the ethyl ester of N-benzoyltyrosine. | 1.95 | 1 | 0 | benzamides;
ethyl ester;
L-tyrosine derivative;
phenols | chromogenic compound |
n-acetylphenylalanine ethyl ester
N-acetylphenylalanine ethyl ester: RN given refers to (L)-isomer | 1.95 | 1 | 0 | | |
4-nitrophenyloctanoate
[no description available] | 1.95 | 1 | 0 | | |
4-nitrophenyl valerate
4-nitrophenyl valerate: structure in first source | 1.95 | 1 | 0 | | |
4-nitrophenyl hexanoate
[no description available] | 1.95 | 1 | 0 | | |
nad
NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety. | 1.96 | 1 | 0 | organophosphate oxoanion | cofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite |
nitrophenols
Nitrophenols: PHENOLS carrying nitro group substituents. | 2.45 | 2 | 0 | | |