| 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 |
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 |
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 |
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. | 2.1 | 1 | 0 | quaternary ammonium ion | |
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 |
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 |
isoxazoles
Isoxazoles: Azoles with an OXYGEN and a NITROGEN next to each other at the 1,2 positions, in contrast to OXAZOLES that have nitrogens at the 1,3 positions.. isoxazole : A monocyclic heteroarene with a structure consisting of a 5-membered ring containing three carbon atoms and an oxygen and nitrogen atom adjacent to each other. It is the parent of the class of isoxazoles.. isoxazoles : Oxazoles in which the N and O atoms are adjacent. | 2.02 | 1 | 0 | isoxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
thioacetic acid
ethanethioic S-acid : A thioacetic acid that is acetic acid in which the oxygen atom of the hydroxy group has been replaced by a sulfur atom. | 2.21 | 1 | 0 | thioacetic acid | |
4-nitrophenyl acetate
[no description available] | 1.95 | 1 | 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 | | |
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. | 2.21 | 1 | 0 | 1,4-dimercaptobutane-2,3-diol;
butanediols;
dithiol;
glycol;
thiol | chelator;
human metabolite;
reducing agent |
ethylhexadecyldimethylammonium
ethylhexadecyldimethylammonium: a disinfectant | 2.21 | 1 | 0 | | |
4-nitrophenyl propionate
[no description available] | 1.95 | 1 | 0 | | |
4-nitrophenyl laurate
[no description available] | 2.02 | 1 | 0 | | |
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 | | |