| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
chlordecone
[no description available] | 2.05 | 1 | 0 | cyclic ketone;
organochlorine compound | insecticide;
persistent organic pollutant |
phenytoin
[no description available] | 2.05 | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent |
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 |
emodin
Emodin: Purgative anthraquinone found in several plants, especially RHAMNUS PURSHIANA. It was formerly used as a laxative, but is now used mainly as a tool in toxicity studies.. emodin : A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs. | 1.98 | 1 | 0 | trihydroxyanthraquinone | antineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor |
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 |
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 |
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. | 2.05 | 1 | 0 | (trifluoromethyl)benzenes;
C-nitro compound;
substituted aniline | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
9,10-dimethyl-1,2-benzanthracene
9,10-Dimethyl-1,2-benzanthracene: Polycyclic aromatic hydrocarbon found in tobacco smoke that is a potent carcinogen.. 7,12-dimethyltetraphene : A tetraphene having methyl substituents at the 7- and 12-positions. It is a potent carcinogen and is present in tobacco smoke. | 1.98 | 1 | 0 | ortho-fused polycyclic arene;
tetraphenes | carcinogenic agent |
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 |
alizarin
[no description available] | 2.42 | 2 | 0 | dihydroxyanthraquinone | chromophore;
dye;
plant metabolite |
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 | |
1-amino-2-methylanthraquinone
[no description available] | 2.08 | 1 | 0 | anthraquinone | |
1-aminoanthraquinone
[no description available] | 3.09 | 5 | 0 | | |
2,6-dihydroxyanthraquinone
2,6-dihydroxyanthraquinone: structure given in first source. anthraflavic acid : A dihydroxyanthraquinone that is anthracene substituted by hydroxy groups at C-3 and C-7 and oxo groups at C-9 and C-10. | 1.98 | 1 | 0 | dihydroxyanthraquinone | antimutagen;
plant metabolite |
9,10-anthraquinone
9,10-anthraquinone : An anthraquinone that is anthracene in which positions 9 and 10 have been oxidised to carbonyls. | 2.4 | 2 | 0 | anthraquinone | |
michler's ketone
[no description available] | 2.05 | 1 | 0 | benzophenones | |
cdec
CDEC: structure | 2.05 | 1 | 0 | thiocarbonyl compound | |
2-chloroaniline
[no description available] | 7.21 | 1 | 0 | | |
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 | |
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 | |
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 | |
1-amino-4-hydroxyanthraquinone
[no description available] | 2 | 1 | 0 | | |
anthrarufin
1,5-dihydroxyanthraquinone: used in ferric ion sensing as an inclusion complex with beta-cyclodextrin; structure in first source. anthrarufin : A dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 5. | 1.98 | 1 | 0 | dihydroxyanthraquinone | |
cresidine
cresidine: structure | 2.05 | 1 | 0 | methoxybenzenes | |
1,5-diaminoanthraquinone
1,5-diaminoanthraquinone: structure in first source | 2 | 1 | 0 | | |
2,6-diaminoanthraquinone
2,6-diaminoanthraquinone: structure in first source | 2 | 1 | 0 | | |
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 | |
chrysophanic acid
chrysophanic acid: RN given refers to parent cpd; structure in Merck, 9th ed, #2260. chrysophanol : A trihydroxyanthraquinone that is chrysazin with a methyl substituent at C-3. It has been isolated from Aloe vera and exhibits antiviral and anti-inflammatory activity. | 1.98 | 1 | 0 | dihydroxyanthraquinone | anti-inflammatory agent;
antiviral agent;
plant metabolite |
chlorobenzilate
chlorobenzilate: structure | 2.05 | 1 | 0 | diarylmethane | |
physcione
physcione: structure. physcion : A dihydroxyanthraquinone that is 9,10-anthraquinone bearing hydroxy substituents at positions 1 and 8, a methoxy group at position 3, and a methyl group at position 6. It has been widely isolated and characterised from both terrestrial and marine sources. | 1.98 | 1 | 0 | dihydroxyanthraquinone | anti-inflammatory agent;
antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
metabolite |
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. | 2.07 | 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-aminoanthracene
[no description available] | 1.96 | 1 | 0 | anthracenamine | |
2-anthramine
2-anthramine: structure | 1.96 | 1 | 0 | anthracenamine | |
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. | 2.07 | 1 | 0 | | |
d-alpha tocopherol
Vitamin E: A generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of ISOPRENOIDS.. tocopherol : A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain.. vitamin E : Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen.. (R,R,R)-alpha-tocopherol : An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. | 1.98 | 1 | 0 | alpha-tocopherol | algal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite |
2,3,7,8-tetrachlorodibenzodioxine
Tetrachlorodibenzodioxin: A mixture of isomers. | 2.05 | 1 | 0 | polychlorinated dibenzodioxine | |
1,2-diaminoanthraquinone
[no description available] | 2 | 1 | 0 | | |
nitrofen
nitrofen: structure | 2.05 | 1 | 0 | organic molecular entity | EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
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 |
disperse blue 1
[no description available] | 2 | 1 | 0 | anthraquinone | |
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 |
1,4-diaminoanthraquinone
[no description available] | 2 | 1 | 0 | | |
diphenylcyclopropenone
diphenylcyclopropenone: strong contact sensitizer; a photosensitizing agent; RN given refers to parent cpd; structure given in first source. diphenylcyclopropenone : A cyclopropenone compound having phenyl substituents at the 2- and 3-positions. | 1.98 | 1 | 0 | cyclopropenone | drug allergen;
hapten;
photosensitizing agent |
epigallocatechin gallate
epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis). (-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin. | 1.98 | 1 | 0 | flavans;
gallate ester;
polyphenol | antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite |
9,10-anthraquinone 2-carboxylic acid
9,10-anthraquinone 2-carboxylic acid: structure in first source | 1.98 | 1 | 0 | | |
anthraglycoside b
anthraglycoside B: from Polygonum cuspidatum Sieb. et Zucc; structure in first source | 1.98 | 1 | 0 | dihydroxyanthraquinone | |
epicatechin gallate
epicatechin gallate: a steroid 5alpha-reductase inhibitor; RN given refers to the (cis)-isomer; structure given in first source; isolated from green tea. (-)-epicatechin-3-O-gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida. | 1.98 | 1 | 0 | catechin;
gallate ester;
polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite |
procyanidin b2
procyanidin B2 : A proanthocyanidin consisting of two molecules of (-)-epicatechin joined by a bond between positions 4 and 8' in a beta-configuration. Procyanidin B2 can be found in Cinchona pubescens (Chinchona, in the rind, bark and cortex), in Cinnamomum verum (Ceylon cinnamon, in the rind, bark and cortex), in Crataegus monogyna (Common hawthorn, in the flower and blossom), in Uncaria guianensis (Cat's claw, in the root), in Vitis vinifera (Common grape vine, in the leaf), in Litchi chinensis (litchi, in the pericarp), in the apple, in Ecdysanthera utilis and in red wine. | 1.98 | 1 | 0 | biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin | antioxidant;
metabolite |
(-)-gallocatechin gallate
(-)-gallocatechin gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-gallocatechin. A natural product found in found in green tea. | 1.98 | 1 | 0 | catechin;
gallate ester;
polyphenol | antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
(+)-limonene
(4R)-limonene : An optically active form of limonene having (4R)-configuration. | 2.05 | 1 | 0 | limonene | plant metabolite |
Pedunculagin
pedunculagin: from the walnut (Juglans regia) pellicle | 1.98 | 1 | 0 | tannin | |
retinol
Vitamin A: Retinol and derivatives of retinol that play an essential role in metabolic functioning of the retina, the growth of and differentiation of epithelial tissue, the growth of bone, reproduction, and the immune response. Dietary vitamin A is derived from a variety of CAROTENOIDS found in plants. It is enriched in the liver, egg yolks, and the fat component of dairy products.. vitamin A : Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication.. all-trans-retinol : A retinol in which all four exocyclic double bonds have E- (trans-) geometry.. retinol : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified). | 1.95 | 1 | 0 | retinol;
vitamin A | human metabolite;
mouse metabolite;
plant metabolite |
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 | |
lithium
Lithium: An element in the alkali metals family. It has the atomic symbol Li, atomic number 3, and atomic weight [6.938; 6.997]. Salts of lithium are used in treating BIPOLAR DISORDER. | 2.15 | 1 | 0 | alkali metal atom | |
cinnamyl anthranilate
[no description available] | 2.05 | 1 | 0 | benzoate ester | |
allopurinol
Allopurinol: A XANTHINE OXIDASE inhibitor that decreases URIC ACID production. It also acts as an antimetabolite on some simpler organisms.. allopurinol : A bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring. | 2.13 | 1 | 0 | nucleobase analogue;
organic heterobicyclic compound | antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger |