| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
acetone
methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H). | 2.41 | 1 | 0 | ketone body;
methyl ketone;
propanones;
volatile organic compound | EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent |
catechol
[no description available] | 7.05 | 1 | 0 | catechols | allelochemical;
genotoxin;
plant metabolite |
formaldehyde
paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy | 2.41 | 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 |
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. | 2.41 | 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 |
naphthalene
[no description available] | 4.76 | 9 | 0 | naphthalenes;
ortho-fused bicyclic arene | apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component |
phenanthrene
phenanthrene : A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.' | 4.54 | 7 | 0 | ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon;
phenanthrenes | environmental contaminant;
mouse metabolite |
pyrazole
1H-pyrazole : The 1H-tautomer of pyrazole. | 7.31 | 1 | 0 | pyrazole | |
2,2'-dipyridyl
2,2'-Dipyridyl: A reagent used for the determination of iron.. 2,2'-bipyridine : A bipyridine in which the two pyridine moieties are linked by a bond between positions C-2 and C-2'. | 2.03 | 1 | 0 | bipyridine | chelator;
ferroptosis inhibitor |
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 | 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 |
benzo(a)pyrene
Benzo(a)pyrene: A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke.. benzo[a]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. | 3.55 | 2 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent;
mouse metabolite |
piperonyl butoxide
[no description available] | 2.68 | 3 | 0 | benzodioxoles | pesticide synergist |
benz(a)anthracene
benz(a)anthracene: 4 fused rings of which one is angular in contrast to the linear NAPHTHACENES. tetraphene : An angular ortho-fused polycyclic arene consisting of four fused benzene rings. | 3.31 | 1 | 0 | ortho-fused polycyclic arene;
tetraphenes | |
methylene blue
Methylene Blue: A compound consisting of dark green crystals or crystalline powder, having a bronze-like luster. Solutions in water or alcohol have a deep blue color. Methylene blue is used as a bacteriologic stain and as an indicator. It inhibits GUANYLATE CYCLASE, and has been used to treat cyanide poisoning and to lower levels of METHEMOGLOBIN.. methylene blue : An organic chloride salt having 3,7-bis(dimethylamino)phenothiazin-5-ium as the counterion. A commonly used dye that also exhibits antioxidant, antimalarial, antidepressant and cardioprotective properties. | 1.99 | 1 | 0 | organic chloride salt | acid-base indicator;
antidepressant;
antimalarial;
antimicrobial agent;
antioxidant;
cardioprotective agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 4.6.1.2 (guanylate cyclase) inhibitor;
fluorochrome;
histological dye;
neuroprotective agent;
physical tracer |
cycloheximide
Cycloheximide: Antibiotic substance isolated from streptomycin-producing strains of Streptomyces griseus. It acts by inhibiting elongation during protein synthesis.. cycloheximide : A dicarboximide that is 4-(2-hydroxyethyl)piperidine-2,6-dione in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 3,5-dimethyl-2-oxocyclohexyl group. It is an antibiotic produced by the bacterium Streptomyces griseus. | 1.99 | 1 | 0 | antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol | anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor |
acetylene
[no description available] | 7.11 | 1 | 0 | alkyne;
gas molecular entity;
terminal acetylenic compound | |
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. | 2.11 | 1 | 0 | aliphatic nitrile;
volatile organic compound | EC 3.5.1.4 (amidase) inhibitor;
NMR chemical shift reference compound;
polar aprotic solvent |
acenaphthene
[no description available] | 3.96 | 13 | 0 | acenaphthenes | |
fluorene
[no description available] | 3.13 | 5 | 0 | ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon | |
1-methylnaphthalene
1-methylnaphthalene : A methylnaphthalene carrying a methyl substituent at position 1. | 2.05 | 1 | 0 | methylnaphthalene | carcinogenic agent;
plant metabolite |
2-methylnaphthalene
2-methylnaphthalene: RN given refers to parent cpd. 2-methylnaphthalene : A methylnaphthalene carrying a methyl substituent at position 2. | 2.05 | 1 | 0 | methylnaphthalene | |
melamine
melamine: RN given refers to parent cpd; structure. melamine : A trimer of cyanamide, with a 1,3,5-triazine skeleton. | 2.41 | 1 | 0 | triamino-1,3,5-triazine | xenobiotic metabolite |
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. | 2.72 | 3 | 0 | acene;
anthracenes;
ortho-fused tricyclic hydrocarbon | |
2-naphthol
2-naphthol: RN given refers to parent cpd. 2-naphthol : A naphthol carrying a hydroxy group at position 2.. naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent. | 2.05 | 1 | 0 | naphthol | antinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger |
catechin
Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.. catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.. rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin. (+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. | 2.41 | 1 | 0 | catechin | antioxidant;
plant metabolite |
perylene
Perylene: A 20-carbon dibenz(de,kl)anthracene that can be viewed as a naphthalene fused to a phenalene or as dinaphthalene. It is used as fluorescent lipid probe in the cytochemistry of membranes and is a polycyclic hydrocarbon pollutant in soil and water. Derivatives may be carcinogenic.. perylene : An ortho- and peri-fused polycyclic arene comprising of five benzene rings that is anthracene in which the d,e and k,l sides are fused to benzene rings. | 2.44 | 2 | 0 | ortho- and peri-fused polycyclic arene;
perylenes | |
benzo(j)fluoranthene
benzo(j)fluoranthene: dihydrodiol metabolites identified as mutagens; structure given in first source | 2.11 | 1 | 0 | naphthalenes | |
benzo(b)fluoranthene
benzo[b]fluoranthene : An ortho- and peri-fused polycyclic arene that consists of a benzene ring fused with a acephenanthrylene ring. | 3.31 | 1 | 0 | ortho- and peri-fused polycyclic arene | mutagen |
fluoranthene
fluoranthene: structure. fluoranthene : An ortho- and peri-fused polycyclic arene consisting of a naphthalene and benzene unit connected by a five-membered ring. | 2.79 | 3 | 0 | ortho- and peri-fused polycyclic arene | |
benzo(k)fluoranthene
[no description available] | 2.45 | 2 | 0 | naphthalenes | |
azulene
[no description available] | 8.27 | 1 | 0 | azulenes;
mancude carbobicyclic parent;
ortho-fused bicyclic arene | plant metabolite;
volatile oil component |
cyclopentane
Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution. | 3.58 | 2 | 0 | cycloalkane;
cyclopentanes;
volatile organic compound | non-polar solvent |
1,2-dihydroxynaphthalene
1,2-dihydroxynaphthalene: RN given refers to parent cpd | 7.05 | 1 | 0 | naphthalenediol | mouse metabolite |
fluorine
Fluorine: A nonmetallic, diatomic gas that is a trace element and member of the halogen family. It is used in dentistry as fluoride (FLUORIDES) to prevent dental caries. | 2.41 | 1 | 0 | diatomic fluorine;
gas molecular entity | NMR chemical shift reference compound |
ozone
Ozone: The unstable triatomic form of oxygen, O3. It is a powerful oxidant that is produced for various chemical and industrial uses. Its production is also catalyzed in the ATMOSPHERE by ULTRAVIOLET RAY irradiation of oxygen or other ozone precursors such as VOLATILE ORGANIC COMPOUNDS and NITROGEN OXIDES. About 90% of the ozone in the atmosphere exists in the stratosphere (STRATOSPHERIC OZONE).. ozone : An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs. | 7.41 | 2 | 0 | elemental molecule;
gas molecular entity;
reactive oxygen species;
triatomic oxygen | antiseptic drug;
disinfectant;
electrophilic reagent;
greenhouse gas;
mutagen;
oxidising agent;
tracer |
pyrene
pyrene: structure in Merck Index, 9th ed, #7746. pyrene : An ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system. | 2.53 | 2 | 0 | ortho- and peri-fused polycyclic arene | fluorescent probe;
persistent organic pollutant |
cyclopenta(c,d)pyrene
cyclopenta(c,d)pyrene: structure | 2.44 | 2 | 0 | pyrenes | |
ng-nitroarginine methyl ester
NG-Nitroarginine Methyl Ester: A non-selective inhibitor of nitric oxide synthase. It has been used experimentally to induce hypertension. | 1.99 | 1 | 0 | alpha-amino acid ester;
L-arginine derivative;
methyl ester;
N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
2,3,7,8-tetrachlorodibenzofuran
2,3,7,8-tetrachlorodibenzofuran: toxic product which was generated in Italy due to an explosion in a plant manufacturing 2,4,5-trichlorophenol | 1.98 | 1 | 0 | polychlorinated dibenzofuran | |
1,8-naphthalenedicarboxylic acid
1,8-naphthalenedicarboxylic acid: structure given in first source | 2.03 | 1 | 0 | | |
5-aminopyrazole
5-aminopyrazole: structure in first source | 2.07 | 1 | 0 | | |
aceanthrylene
aceanthrylene: structure given in first source | 2.42 | 2 | 0 | ortho- and peri-fused polycyclic arene | |
2-ethynylnaphthalene
2-ethynylnaphthalene: RN given refers to unlabeled parent cpd | 2 | 1 | 0 | | |
benzoperylene
benzoperylene: see also record for 1,12-benzperylene | 1.98 | 1 | 0 | | |
fulvene
fulvene: structure. fulvene : An organic cyclic compound that consists of cyclopentadiene bearing a methylene substituent. The parent of the class of fulvenes. | 8.27 | 1 | 0 | fulvenes | |
1-ethynylpyrene
1-ethynylpyrene: RN & structure given in first source; RN not in Chemline 12/84 | 2 | 1 | 0 | | |
hydroxyl radical
Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent. | 7.43 | 2 | 0 | oxygen hydride;
oxygen radical;
reactive oxygen species | |
9-ethynylphenanthrene
9-ethynylphenanthrene: structure given in first source | 2 | 1 | 0 | | |
benzofurans
Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring. | 1.98 | 1 | 0 | | |
phenanthrenes
Phenanthrenes: POLYCYCLIC AROMATIC HYDROCARBONS composed of three fused BENZENE rings.. phenanthrenes : Any benzenoid aromatic compound that consists of a phenanthrene skeleton and its substituted derivatives thereof. | 4.77 | 9 | 0 | | |