| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
chlordecone
[no description available] | 2.05 | 1 | 0 | cyclic ketone;
organochlorine compound | insecticide;
persistent organic pollutant |
4,5,6,7-tetrabromo-2-azabenzimidazole
4,5,6,7-tetrabromobenzotriazole: a CK2 kinase inhibitor | 3.12 | 1 | 0 | | |
phenytoin
[no description available] | 2.05 | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent |
atrazine
[no description available] | 2.03 | 1 | 0 | chloro-1,3,5-triazine;
diamino-1,3,5-triazine | environmental contaminant;
herbicide;
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. | 2.03 | 1 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent;
mouse metabolite |
dichlorodiphenyl dichloroethylene
Dichlorodiphenyl Dichloroethylene: An organochlorine pesticide, it is the ethylene metabolite of DDT. | 2.05 | 1 | 0 | chlorophenylethylene;
monochlorobenzenes | human xenobiotic metabolite;
persistent organic pollutant |
4-dichlorobenzene
dichlorobenzene : Any member of the class of chlorobenzenes carrying two chloro groups at unspecified positions.. 1,4-dichlorobenzene : A dichlorobenzene carrying chloro groups at positions 1 and 4. | 2.05 | 1 | 0 | dichlorobenzene | insecticide |
patulin
Patulin: 4-Hydroxy-4H-furo(3,2-c)pyran-2(6H)-one. A mycotoxin produced by several species of Aspergillus and Penicillium. It is found in unfermented apple and grape juice and field crops. It has antibiotic properties and has been shown to be carcinogenic and mutagenic and causes chromosome damage in biological systems.. patulin : A furopyran and lactone that is (2H-pyran-3(6H)-ylidene)acetic acid which is substituted by hydroxy groups at positions 2 and 4 and in which the hydroxy group at position 4 has condensed with the carboxy group to give the corresponding bicyclic lactone. A mycotoxin produced by several species of Aspergillus and Penicillium, it has antibiotic properties but has been shown to be carcinogenic and mutagenic. | 3.12 | 1 | 0 | furopyran;
gamma-lactone;
lactol | antimicrobial agent;
Aspergillus metabolite;
carcinogenic agent;
mutagen;
mycotoxin;
Penicillium metabolite |
phenobarbital
Phenobarbital: A barbituric acid derivative that acts as a nonselective central nervous system depressant. It potentiates GAMMA-AMINOBUTYRIC ACID action on GABA-A RECEPTORS, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations.. phenobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups. | 1.96 | 1 | 0 | barbiturates | anticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative |
4-aminobenzoic acid
para-Aminobenzoates: Benzoic acids, salts, or esters that contain an amino group attached to carbon number 4 of the benzene ring structure.. 4-aminobenzoate : An aromatic amino-acid anion that is the conjugate base of 4-aminobenzoic acid. | 1.95 | 1 | 0 | aminobenzoate;
aromatic amino-acid anion | Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
sulfasalazine
Sulfasalazine: A drug that is used in the management of inflammatory bowel diseases. Its activity is generally considered to lie in its metabolic breakdown product, 5-aminosalicylic acid (see MESALAMINE) released in the colon. (From Martindale, The Extra Pharmacopoeia, 30th ed, p907). sulfasalazine : An azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position. | 2.05 | 1 | 0 | | |
sulfisoxazole
Sulfisoxazole: A short-acting sulfonamide antibacterial with activity against a wide range of gram- negative and gram-positive organisms.. sulfisoxazole : A sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms. | 2.05 | 1 | 0 | isoxazoles;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
drug allergen |
trifluoperazine
[no description available] | 3.12 | 1 | 0 | N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines | antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug |
trifluralin
Trifluralin: A microtubule-disrupting pre-emergence herbicide.. trifluralin : A substituted aniline that is N,N-dipropylaniline substituted by a nitro groups at positions 2 and 6 and a trifluoromethyl group at position 4. It is an agrochemical used as a pre-emergence herbicide. | 2.44 | 2 | 0 | (trifluoromethyl)benzenes;
C-nitro compound;
substituted aniline | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
p-aminoazobenzene
p-Aminoazobenzene: Used in the form of its salts as a dye and as an intermediate in manufacture of Acid Yellow, diazo dyes, and indulines.. 4-(phenylazo)aniline : Azobenzene substituted at one of the 4-positions by an amino group. It has a role as a dye and an allergen. | 1.99 | 1 | 0 | | |
chloroform
Chloroform: A commonly used laboratory solvent. It was previously used as an anesthetic, but was banned from use in the U.S. due to its suspected carcinogenicity.. chloroform : A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines. | 2.05 | 1 | 0 | chloromethanes;
one-carbon compound | carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant |
hexachloroethane
[no description available] | 2.05 | 1 | 0 | chlorocarbon;
chloroethanes | carcinogenic agent;
refrigerant |
perthane
perthane: structure | 2.05 | 1 | 0 | | |
ethyl chloride
Ethyl Chloride: A gas that condenses under slight pressure. Because of its low boiling point ethyl chloride sprayed on skin produces an intense cold by evaporation. Cold blocks nerve conduction. Ethyl chloride has been used in surgery but is primarily used to relieve local pain in sports medicine.. chloroethane : The simplest and least toxic member of the class of chloroethanes, that is ethane in which a single hydrogen is substituted by a chlorine. A colourless gas at room temperature and pressure (boiling point 12degreeC), it is used as a mild topical anaesthetic to numb the skin prior to ear piercing, skin biopsies, etc., and is also used in the treatment of sports injuries. It was formerly used in the production of tetraethyllead. | 2.05 | 1 | 0 | chloroethanes | antipruritic drug;
inhalation anaesthetic;
local anaesthetic |
methylene chloride
Methylene Chloride: A chlorinated hydrocarbon that has been used as an inhalation anesthetic and acts as a narcotic in high concentrations. Its primary use is as a solvent in manufacturing and food technology.. dichloromethane : A member of the class of chloromethanes that is methane in which two of the hydrogens have been replaced by chlorine. A dense, non-flammible colourless liquid at room temperature (b.p. 40degreeC, d = 1.33) which is immiscible with water, it is widely used as a solvent, a paint stripper, and for the removal of caffeine from coffee and tea. | 2.05 | 1 | 0 | chloromethanes;
volatile organic compound | carcinogenic agent;
polar aprotic solvent;
refrigerant |
bromodichloromethane
bromodichloromethane: RN given refers to parent cpd. bromodichloromethane : A halomethane that is dichloromethane in which oneof the hydrogens has been replaced by a bromine atom. It occurs as a contaminant in drinking water. | 2.05 | 1 | 0 | halomethane | environmental contaminant;
reagent |
pentachloroethane
[no description available] | 2.05 | 1 | 0 | chloroethanes | non-polar solvent |
1,1,2-trichloroethane
1,1,2-trichloroethane: RN given refers to cpd with locants as specified. 1,1,2-trichloroethane : A member of the class of chloroethanes that is ethane substituted by chloro groups at positions 1, 1 and 2. | 2.05 | 1 | 0 | chloroethanes | |
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. | 2.05 | 1 | 0 | chloroethenes | inhalation anaesthetic;
mouse metabolite |
1,1,2,2-tetrachloroethane
1,1,2,2-tetrachloroethane: see also record for tetrachloroethane. 1,1,2,2-tetrachloroethane : A member of the class of chloroethanes that is ethane substituted by chloro groups at positions 1, 1, 2 and 2. | 2.05 | 1 | 0 | chloroethanes | |
1-amino-2,4-dibromoanthraquinone
1-amino-2,4-dibromoanthraquinone: intermediate in the production of dyes | 2.05 | 1 | 0 | anthraquinone | |
cdec
CDEC: structure | 2.05 | 1 | 0 | thiocarbonyl compound | |
2,4-diaminotoluene
2,4-diaminotoluene: RN given refers to unlabeled parent cpd; structure. 2,4-diaminotoluene : An aminotoluene that is para-toluidine with an additional amino group at position 2. | 2.05 | 1 | 0 | aminotoluene | metabolite |
4-chloro-1,2-diaminobenzene
4-chloro-1,2-diaminobenzene: RN given refers to parent cpd | 2.05 | 1 | 0 | monochlorobenzenes | |
1,2,3-trichloropropane
[no description available] | 2.05 | 1 | 0 | organochlorine compound | |
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. | 2.03 | 1 | 0 | alkylbenzene;
phenols | antioxidant;
bacterial metabolite;
marine metabolite |
5-nitro-2-toluidine
5-nitro-2-toluidine: structure given in first source; RN given refers to parent cpd. 5-nitro-o-toluidine : A C-nitro compound in which the nitro compound is meta to the amino group and para to the methyl group of o-toluidine. | 2.05 | 1 | 0 | C-nitro compound | |
5-nitro-2-methoxyaniline
5-nitro-2-methoxyaniline: RN given refers to parent cpd | 2.05 | 1 | 0 | 4-nitroanisoles;
substituted aniline | |
n,n,n',n'-tetramethyl-4,4'-methylenedianiline
N,N,N',N'-tetramethyl-4,4'-methylenedianiline: structure given in first source | 1.96 | 1 | 0 | diarylmethane | |
di-(4-aminophenyl)ether
di-(4-aminophenyl)ether: structure | 2.05 | 1 | 0 | aromatic ether | |
1,3-butadiene
buta-1,3-diene : A butadiene with unsaturation at positions 1 and 3. | 2.05 | 1 | 0 | butadiene | carcinogenic agent;
mutagen |
tetrahydrofuran
oxolane : A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen. | 2.05 | 1 | 0 | cyclic ether;
oxolanes;
saturated organic heteromonocyclic parent;
volatile organic compound | polar aprotic solvent |
tetrafluoroethylene
tetrafluoroethylene: RN given refers to parent cpd; structure | 2.05 | 1 | 0 | fluorocarbon | |
2-aminoanthraquinone
[no description available] | 2.05 | 1 | 0 | anthraquinone | |
cresidine
cresidine: structure | 2.05 | 1 | 0 | methoxybenzenes | |
sulfan blue
sulfan blue: widely used to visualize lymph vessels for lymphography; structure | 1.95 | 1 | 0 | organic molecular entity | |
amiben
Amiben: RN given refers to parent cpd | 2.05 | 1 | 0 | chlorobenzoic acid | |
2,4,5-trimethylaniline
2,4,5-trimethylaniline: RN given refers to parent cpd | 2.05 | 1 | 0 | substituted aniline | |
4,4'-thiodianiline
4,4'-thiodianiline: structure | 2.05 | 1 | 0 | substituted aniline | |
lucanthone
Lucanthone: One of the SCHISTOSOMICIDES, it has been replaced largely by HYCANTHONE and more recently PRAZIQUANTEL. (From Martindale The Extrapharmacopoeia, 30th ed., p46). lucanthone : A thioxanthen-9-one compound having a methyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. Formerly used for the treatment of schistosomiasis. It is a prodrug, being metabolised to hycanthone. | 1.95 | 1 | 0 | thioxanthenes | adjuvant;
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
mutagen;
photosensitizing agent;
prodrug;
schistosomicide drug |
chlorobenzilate
chlorobenzilate: structure | 2.05 | 1 | 0 | diarylmethane | |
gentian violet
Gentian Violet: A dye that is a mixture of violet rosanilinis with antibacterial, antifungal, and anthelmintic properties.. crystal violet : An organic chloride salt that is the monochloride salt of crystal violet cation. It has been used in creams for the topical treatment of bacterial and fungal infections, being effective against some Gram-positive bacteria (notably Staphylococcus species) and some pathogenic fungi (including Candida species) but use declined following reports of animal carcinogenicity. It has also been used for dying wood, silk, and paper, as well as a histological stain. | 1.95 | 1 | 0 | organic chloride salt | anthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye |
neutral red base
neutral red base : A member of the class of phenazines carrying methyl, amino and dimethylamino substituents at positions 2, 3 and 7 respectively. The free base of neutral red, which acts as a pH indicator, changing from red to yellow between pH 6.8 and 8.0. | 3.51 | 2 | 0 | aromatic amine;
phenazines;
primary amino compound;
tertiary amino compound | acid-base indicator;
dye;
two-colour indicator |
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. | 1.95 | 1 | 0 | organic chloride salt | antibacterial agent;
antifungal drug;
carcinogenic agent;
environmental contaminant;
fluorochrome;
histological dye;
teratogenic agent |
5-nitroacenaphthene
[no description available] | 2.05 | 1 | 0 | nitronaphthalene | |
1,1,1,2-tetrachloroethane
1,1,1,2-tetrachloroethane: see also record for tetrachloroethane | 2.05 | 1 | 0 | chloroethanes | |
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. | 1.95 | 1 | 0 | | |
tetracyanoethylene
tetracyanoethene: structure in first source | 2.03 | 1 | 0 | | |
2,3,7,8-tetrachlorodibenzodioxine
Tetrachlorodibenzodioxin: A mixture of isomers. | 2.05 | 1 | 0 | polychlorinated dibenzodioxine | |
nitrofen
nitrofen: structure | 2.05 | 1 | 0 | organic molecular entity | EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide |
molinate
molinate : A member of the class of azepanes that is azepane in which the nitrogen is substituted by an (ethylsulfanyl)carbonyl group, -C(=O)SEt. A thiocarbamate herbicide not approved for use in the U.S. or European Union, it is used control grass weeds in rice paddies. | 2.03 | 1 | 0 | azepanes;
monothiocarbamic ester | agrochemical;
antispermatogenic agent;
herbicide |
1,5-naphthalenediamine
1,5-diaminonaphthalene: structure in first source. naphthalene-1,5-diamine : A naphthalenediamine compound having amino substituents in the 1- and 5-positions. | 2.05 | 1 | 0 | naphthalenediamine | carcinogenic agent |
c.i. solvent yellow 56
C.I. Solvent Yellow 56: not a carcinogen. Solvent yellow 56 : An azobenzene that is N,N-diethylaniline substituted at position 4 by a phenylazo group. | 1.99 | 1 | 0 | azobenzenes;
substituted aniline;
tertiary amino compound | dye;
mutagen |
n-methylamino-2-nitro-4-n',n'-bis(2-hydroxyethyl)aminobenzene
N-methylamino-2-nitro-4-N',N'-bis(2-hydroxyethyl)aminobenzene: structure | 2.05 | 1 | 0 | C-nitro compound | |
1,2-diphenylhydrazine
[no description available] | 2.05 | 1 | 0 | | |
1,4-dioxane
1,4-dioxane: dehydrating agent; polar solvent miscible both with water & most organic solvents. dioxane : Any member of the class of dioxanes that is a cyclohexane in which two carbon atoms are replaced by oxygen atoms.. 1,4-dioxane : A dioxane with oxygen atoms at positions 1 and 4. | 2.05 | 1 | 0 | dioxane;
volatile organic compound | carcinogenic agent;
metabolite;
NMR chemical shift reference compound;
non-polar solvent |
chloroprene
Chloroprene: Toxic, possibly carcinogenic, monomer of neoprene, a synthetic rubber; causes damage to skin, lungs, CNS, kidneys, liver, blood cells and fetuses. Synonym: 2-chlorobutadiene. | 2.05 | 1 | 0 | chloroolefin | |
tetrachloroethylene
Tetrachloroethylene: A chlorinated hydrocarbon used as an industrial solvent and cooling liquid in electrical transformers. It is a potential carcinogen. | 2.05 | 1 | 0 | chlorocarbon;
chloroethenes | nephrotoxic agent |
glutamic acid
Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.. glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2. | 1.98 | 1 | 0 | glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical |
paclitaxel
Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL). | 3.12 | 1 | 0 | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent |
epirubicin
Epirubicin: An anthracycline which is the 4'-epi-isomer of doxorubicin. The compound exerts its antitumor effects by interference with the synthesis and function of DNA. | 3.12 | 1 | 0 | aminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
iso-sulfan blue
iso-sulfan blue: 2,5-disulfobenzylidene-isomer of sulfan blue; RN given refers to Na salt; structure in first source | 1.95 | 1 | 0 | | |
ribavirin 5'-triphosphate
ribavirin 5'-triphosphate: structure given in first source. ribavirin 5'-triphosphate : A 1-ribosyltriazole that is ribavirin in which the hydroxy group at the 5'-position is replaced by a triphosphate group. It is the active metabolite of the antiviral agent ribavirin. | 3.12 | 1 | 0 | 1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide;
ribose triphosphate | antiviral agent;
drug metabolite;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
eukaryotic initiation factor 4F inhibitor;
human blood serum metabolite |
ribavirin 5'-diphosphate
ribavirin 5'-diphosphate : A 1-ribosyltriazole that is ribavirin in which the hydroxy group at the 5'-position is replaced by a diphosphate group. It is the metabolite of the antiviral agent ribavirin. | 3.12 | 1 | 0 | 1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide;
ribose diphosphate | antiviral agent;
drug metabolite |
2,3-diaminophenazine
2,3-diaminophenazine: product form horseradish peroxidase catalyzed oxidation of o-phenylenediamine | 2 | 1 | 0 | | |
(+)-limonene
(4R)-limonene : An optically active form of limonene having (4R)-configuration. | 2.05 | 1 | 0 | limonene | plant metabolite |
betadex
beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds. | 2.41 | 1 | 0 | cyclodextrin | |
4-phenyl-4-oxo-2-hydroxybuten-2-oic acid
2,4-dioxo-4-phenylbutanoic acid: structure in first source | 3.12 | 1 | 0 | | |
ethylenethiourea
Ethylenethiourea: A degradation product of ethylenebis(dithiocarbamate) fungicides. It has been found to be carcinogenic and to cause THYROID hyperplasia. | 2.05 | 1 | 0 | imidazolidines | |
nadp
[no description available] | 1.96 | 1 | 0 | | |
cinnamyl anthranilate
[no description available] | 2.05 | 1 | 0 | benzoate ester | |
biln 2061
BILN 2061: a macrocyclic NS3 protease inhibitor and antiviral agent; structure in first source | 3.12 | 1 | 0 | | |
merocyanine dye
merocyanine dye: fluorescent dye used for studying axons 2 position on pyrimidine ring may be S or O; RN given refers to Na salt; structure | 2 | 1 | 0 | | |
folic acid
folcysteine: used to promote fertility in chickens. vitamin B9 : Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin. | 1.98 | 1 | 0 | folic acids;
N-acyl-amino acid | human metabolite;
mouse metabolite;
nutrient |
pteroylpentaglutamic acid
[no description available] | 1.98 | 1 | 0 | organic molecular entity | |
pyrimidinones
Pyrimidinones: Heterocyclic compounds known as 2-pyrimidones (or 2-hydroxypyrimidines) and 4-pyrimidones (or 4-hydroxypyrimidines) with the general formula C4H4N2O. | 2 | 1 | 0 | | |