Substance | Relationship Strength | Studies | Trials | Classes | Roles |
ammonium hydroxide azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2. | 2.37 | 2 | 0 | azane; gas molecular entity; mononuclear parent hydride | EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant |
benzene [no description available] | 3.15 | 5 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
bromide Bromides: Salts of hydrobromic acid, HBr, with the bromine atom in the 1- oxidation state. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed) | 2.1 | 1 | 0 | halide anion; monoatomic bromine | |
catechol [no description available] | 2.47 | 2 | 0 | catechols | allelochemical; genotoxin; plant metabolite |
choline [no description available] | 2.01 | 1 | 0 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
chlorine chloride : A halide anion formed when chlorine picks up an electron to form an an anion. | 2.9 | 4 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
salicylic acid Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL). | 2.39 | 2 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
dibenzofuran Dibenzofurans: Compounds that include the structure of dibenzofuran.. dibenzofurans : Any organic heterotricyclic compound based on a dibenzofuran skeleton and its substituted derivatives thereof.. dibenzofuran : A mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions. | 9.29 | 165 | 0 | dibenzofurans; mancude organic heterotricyclic parent; polycyclic heteroarene | xenobiotic |
hexachlorocyclohexane Lindane: An organochlorine insecticide made up of greater than 99% gamma-Hexachlorocyclohexane. It has been used as a pediculicide and scabicide, and shown to cause cancer.. beta-hexachlorocyclohexane : The beta-isomer of hexachlorocyclohexane. | 2.08 | 1 | 0 | chlorocyclohexane | |
hydrogen cyanide Hydrogen Cyanide: Hydrogen cyanide (HCN); A toxic liquid or colorless gas. It is found in the smoke of various tobacco products and released by combustion of nitrogen-containing organic materials.. hydrogen cyanide : A one-carbon compound consisting of a methine group triple bonded to a nitrogen atom | 2.21 | 1 | 0 | hydracid; one-carbon compound | Escherichia coli metabolite; human metabolite; poison |
hydrogen Hydrogen: The first chemical element in the periodic table with atomic symbol H, and atomic number 1. Protium (atomic weight 1) is by far the most common hydrogen isotope. Hydrogen also exists as the stable isotope DEUTERIUM (atomic weight 2) and the radioactive isotope TRITIUM (atomic weight 3). Hydrogen forms into a diatomic molecule at room temperature and appears as a highly flammable colorless and odorless gas.. dihydrogen : An elemental molecule consisting of two hydrogens joined by a single bond. | 2.76 | 3 | 0 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
naphthalene [no description available] | 2.75 | 3 | 0 | naphthalenes; ortho-fused bicyclic arene | apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component |
nitrates Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical. | 1.93 | 1 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | |
nitric acid Nitric Acid: Nitric acid (HNO3). A colorless liquid that is used in the manufacture of inorganic and organic nitrates and nitro compounds for fertilizers, dye intermediates, explosives, and many different organic chemicals. Continued exposure to vapor may cause chronic bronchitis; chemical pneumonitis may occur. (From Merck Index, 11th ed). nitric acid : A nitrogen oxoacid of formula HNO3 in which the nitrogen atom is bonded to a hydroxy group and by equivalent bonds to the remaining two oxygen atoms. | 1.93 | 1 | 0 | nitrogen oxoacid | protic solvent; reagent |
1-octanol 1-Octanol: A colorless, slightly viscous liquid used as a defoaming or wetting agent. It is also used as a solvent for protective coatings, waxes, and oils, and as a raw material for plasticizers. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). octan-1-ol : An octanol carrying the hydroxy group at position 1. | 2.07 | 1 | 0 | octanol; primary alcohol | antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite |
pentachlorophenol PENTA: structure given in first source | 3.42 | 7 | 0 | aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes | human xenobiotic metabolite |
phenanthrene phenanthrene : A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.' | 2.01 | 1 | 0 | ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon; phenanthrenes | environmental contaminant; mouse metabolite |
phenol [no description available] | 2.45 | 2 | 0 | phenols | antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite |
phthalic acid phthalic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7178. phthalic acid : A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions. | 2.1 | 1 | 0 | benzenedicarboxylic acid | human xenobiotic metabolite |
sulfuric acid sulfuric acid : A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom. | 2.34 | 2 | 0 | sulfur oxoacid | catalyst |
sulfur dioxide Sulfur Dioxide: A highly toxic, colorless, nonflammable gas. It is used as a pharmaceutical aid and antioxidant. It is also an environmental air pollutant. | 2.51 | 2 | 0 | sulfur oxide | Escherichia coli metabolite; food bleaching agent; refrigerant |
urea pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives. | 2.1 | 1 | 0 | isourea; monocarboxylic acid amide; one-carbon compound | Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
1-aminobenzotriazole [no description available] | 2.01 | 1 | 0 | | |
2,4,5-trichlorophenoxyacetic acid 2,4,5-Trichlorophenoxyacetic Acid: An herbicide with strong irritant properties. Use of this compound on rice fields, orchards, sugarcane, rangeland, and other noncrop sites was terminated by the EPA in 1985. (From Merck Index, 11th ed). (2,4,5-trichlorophenoxy)acetic acid : A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2, 4 and 5 are substituted by chlorines. | 2.11 | 1 | 0 | chlorophenoxyacetic acid; trichlorobenzene | defoliant; phenoxy herbicide; synthetic auxin |
2,4,6-tribromophenol [no description available] | 2.5 | 2 | 0 | bromophenol | environmental contaminant; fungicide; marine metabolite |
2,4-dichlorophenoxyacetic acid 2,4-Dichlorophenoxyacetic Acid: An herbicide with irritant effects on the eye and the gastrointestinal system.. 2,4-D : A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2 and 4 are substituted by chlorines. | 2.11 | 1 | 0 | chlorophenoxyacetic acid; dichlorobenzene | agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin |
azobenzene azobenzene: photosensor molecule known to undergo reversible isomerization from trans to cis on illumination with photons of appropriate wavelength; RN given refers to cpd without isomeric designation; structure. (E)-azobenzene : The (E)-isomer of azobenzene.. (Z)-azobenzene : The (Z)-isomer of azobenzene.. azobenzene : A molecule whose structure comprises two phenyl rings linked by a N=N double bond; the parent compound of the azobenzene class of compounds. | 2.07 | 1 | 0 | azobenzenes | |
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 | 1 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent; mouse metabolite |
beta-naphthoflavone beta-Naphthoflavone: A polyaromatic hydrocarbon inducer of P4501A1 and P4501A2 cytochromes. (Proc Soc Exp Biol Med 1994 Dec:207(3):302-308). beta-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone. | 1.99 | 1 | 0 | extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound | aryl hydrocarbon receptor agonist |
chlorpromazine Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup.. chlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety. | 2.03 | 1 | 0 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
clenbuterol Clenbuterol: A substituted phenylaminoethanol that has beta-2 adrenomimetic properties at very low doses. It is used as a bronchodilator in asthma.. clenbuterol : A substituted aniline that is 2,6-dichloroaniline in which the hydrogen at position 4 has been replaced by a 2-(tert-butylamino)-1-hydroxyethyl group. | 2.01 | 1 | 0 | amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
dibenzothiophene dibenzothiophene : A mancude organic heterotricyclic parent that consists of a thiophene ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions. | 2.42 | 2 | 0 | dibenzothiophenes; mancude organic heterotricyclic parent | keratolytic drug |
dichlorodiphenyl dichloroethylene Dichlorodiphenyl Dichloroethylene: An organochlorine pesticide, it is the ethylene metabolite of DDT. | 2.47 | 2 | 0 | chlorophenylethylene; monochlorobenzenes | human xenobiotic metabolite; persistent organic pollutant |
ethidium Ethidium: A trypanocidal agent and possible antiviral agent that is widely used in experimental cell biology and biochemistry. Ethidium has several experimentally useful properties including binding to nucleic acids, noncompetitive inhibition of nicotinic acetylcholine receptors, and fluorescence among others. It is most commonly used as the bromide.. ethidium : The fluorescent compound widely used in experimental cell biology and biochemistry to reveal double-stranded DNA and RNA. | 2 | 1 | 0 | phenanthridines | fluorochrome; intercalator |
quinone benzoquinone : The simplest members of the class of benzoquinones, consisting of cyclohexadiene which is substituted by two oxo groups.. 1,4-benzoquinone : The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene.. quinone : Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included). | 2.04 | 1 | 0 | 1,4-benzoquinones | cofactor; human xenobiotic metabolite; mouse 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. | 1.99 | 1 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
potassium chloride Potassium Chloride: A white crystal or crystalline powder used in BUFFERS; FERTILIZERS; and EXPLOSIVES. It can be used to replenish ELECTROLYTES and restore WATER-ELECTROLYTE BALANCE in treating HYPOKALEMIA.. potassium chloride : A metal chloride salt with a K(+) counterion. | 2.1 | 1 | 0 | inorganic chloride; inorganic potassium salt; potassium salt | fertilizer |
krypton Krypton: A noble gas that is found in the atmosphere. It has the atomic symbol Kr, atomic number 36, atomic weight 83.80, and has been used in electric bulbs. | 2.11 | 1 | 0 | monoatomic krypton; noble gas atom; p-block element atom | |
triclosan [no description available] | 2.11 | 1 | 0 | aromatic ether; dichlorobenzene; monochlorobenzenes; phenols | antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic |
tyramine [no description available] | 1.97 | 1 | 0 | monoamine molecular messenger; primary amino compound; tyramines | EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter |
piperonyl butoxide [no description available] | 2.01 | 1 | 0 | benzodioxoles | pesticide synergist |
triiodothyronine Triiodothyronine: A T3 thyroid hormone normally synthesized and secreted by the thyroid gland in much smaller quantities than thyroxine (T4). Most T3 is derived from peripheral monodeiodination of T4 at the 5' position of the outer ring of the iodothyronine nucleus. The hormone finally delivered and used by the tissues is mainly T3.. 3,3',5-triiodo-L-thyronine : An iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism. | 1.99 | 1 | 0 | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine | human metabolite; mouse metabolite; thyroid hormone |
chlordan Chlordan: A highly poisonous organochlorine insecticide. The EPA has cancelled registrations of pesticides containing this compound with the exception of its use through subsurface ground insertion for termite control and the dipping of roots or tops of non-food plants. (From Merck Index, 11th ed) | 2.08 | 1 | 0 | cyclodiene organochlorine insecticide | GABA-gated chloride channel antagonist; persistent organic pollutant |
2,3,4,6-tetrachlorophenol 2,3,4,6-tetrachlorophenol: RN given refers to parent cpd; see also record for tetrachlorophenol with locants for chloro groups not specified. 2,3,4,6-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 6. | 3.1 | 5 | 0 | tetrachlorophenol | xenobiotic metabolite |
dichlorodiphenyldichloroethane Dichlorodiphenyldichloroethane: An organochlorine insecticide that is slightly irritating to the skin. (From Merck Index, 11th ed, p482) | 2.05 | 1 | 0 | chlorophenylethane; monochlorobenzenes; organochlorine insecticide | xenobiotic metabolite |
ethane Ethane: A two carbon alkane with the formula H3C-CH3.. ethane : An alkane comprising of two carbon atoms. | 2.51 | 2 | 0 | alkane; gas molecular entity | plant metabolite; refrigerant |
phencyclidine Phencyclidine: A hallucinogen formerly used as a veterinary anesthetic, and briefly as a general anesthetic for humans. Phencyclidine is similar to KETAMINE in structure and in many of its effects. Like ketamine, it can produce a dissociative state. It exerts its pharmacological action through inhibition of NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE). As a drug of abuse, it is known as PCP and Angel Dust.. phencyclidine : A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group. Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects. | 3.46 | 7 | 0 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
tetrabromobisphenol a tetrabromobisphenol A: a brominated flame retardant. 3,3',5,5'-tetrabromobisphenol A : A bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant. | 2.04 | 1 | 0 | brominated flame retardant; bromobisphenol | |
quintozene quintozene: active ingredient of variety of fungicides. pentachloronitrobenzene : A C-nitro compound that is nitrobenzene in which every hydrogen has been replaced by a chlorine. A fungicide used on a variety of crops, including cotton, rice and seed grains, it is no longer approved for use within the European Union. | 2.07 | 1 | 0 | aromatic fungicide; C-nitro compound; pentachlorobenzenes | antifungal agrochemical |
fluorene [no description available] | 2.92 | 4 | 0 | ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon | |
carbazole carbazole: structure in first source | 2.71 | 3 | 0 | carbazole | |
1-chloronaphthalene 1-chloronaphthalene: word preservative; in xylamon the active ingredient is 60% 1-chloronaphthalene; structure in Merck Index, 9th ed, #2126 | 2.01 | 1 | 0 | | |
aminacrine Aminacrine: A highly fluorescent anti-infective dye used clinically as a topical antiseptic and experimentally as a mutagen, due to its interaction with DNA. It is also used as an intracellular pH indicator.. 9-aminoacridine : An aminoacridine that is acridine in which the hydrogen at position 9 is replaced by an amino group. A fluorescent dyd and topical antiseptic agent, it is used (usually as the hydrochloride salt) in eye drops for the treatment of superficial eye infections. | 1.97 | 1 | 0 | aminoacridines; primary amino compound | acid-base indicator; antiinfective agent; antiseptic drug; fluorescent dye; MALDI matrix material; mutagen |
2-chloronaphthalene 2-chloronaphthalene: structure in first source | 2.01 | 1 | 0 | | |
diphenyl diphenyl: RN given refers to unlabeled cpd; structure | 3.3 | 6 | 0 | aromatic fungicide; benzenes; biphenyls | antifungal agrochemical; antimicrobial food preservative |
2-dichlorobenzene 2-dichlorobenzene: structure. 1,2-dichlorobenzene : A dichlorobenzene carrying chloro substituents at positions 1 and 2. | 2.1 | 1 | 0 | dichlorobenzene | hepatotoxic agent; metabolite |
2-bromophenol bromophenol : A halophenol that is any phenol containing one or more covalently bonded bromine atoms. | 2.45 | 2 | 0 | bromophenol | marine metabolite |
2-chlorophenol chlorophenol : A halophenol that is any phenol containing one or more covalently bonded chlorine atoms. | 2.03 | 1 | 0 | 2-halophenol; monochlorophenol | |
phenyl ether diphenyl ether : An aromatic ether in which the oxygen is attached to two phenyl substituents. It has been found in muscat grapes and vanilla. | 2.46 | 2 | 0 | aromatic ether | plant metabolite |
dimethyldioctadecylammonium dimethyldioctadecylammonium: a cationic lipid analog; RN given refers to parent cpd | 2.07 | 1 | 0 | | |
chlorobenzene [no description available] | 2.07 | 1 | 0 | monochlorobenzenes | solvent |
thiophenes Thiophenes: A monocyclic heteroarene furan in which the oxygen atom is replaced by a sulfur.. thiophenes : Compounds containing at least one thiophene ring. | 2.42 | 2 | 0 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
hexachlorobenzene Hexachlorobenzene: An agricultural fungicide and seed treatment agent.. hexachlorobenzene : A member of the class of chlorobenzenes that is benzene in which all of the hydrogens are replaced by chlorines. An agricultural fungicide introduced in the mid-1940s and formerly used as a seed treatment, its use has been banned since 1984 under the Stockholm Convention on Persistent Organic Pollutants. | 3.29 | 6 | 0 | aromatic fungicide; chlorobenzenes | antifungal agrochemical; carcinogenic agent; persistent organic pollutant |
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. | 2.45 | 2 | 0 | acene; anthracenes; ortho-fused tricyclic hydrocarbon | |
fluoranthene fluoranthene: structure. fluoranthene : An ortho- and peri-fused polycyclic arene consisting of a naphthalene and benzene unit connected by a five-membered ring. | 2.04 | 1 | 0 | ortho- and peri-fused polycyclic arene | |
benzofuran benzofuran: RN & structure given in first source. 1-benzofuran : A benzofuran consisting of fused benzene and furan rings. It is the parent compound of the class of 1-benzofurans. | 2.08 | 1 | 0 | 1-benzofurans; benzofuran | |
5-chlorosalicylic acid 5-chlorosalicylic acid: major metabolite of meseclazone; RN given refers to parent cpd. 5-chlorosalicylic acid : A monohydroxybenzoic acid that is 2-hydroxybenzoic acid (salicylic acid) in which the hydrogen at position 5 is replaced by chlorine. | 2.04 | 1 | 0 | chlorobenzoic acid; monochlorobenzenes; monohydroxybenzoic acid | |
hydroxyhydroquinone benzene-1,2,4-triol : A benzenetriol carrying hydroxy groups at positions 1, 2 and 4. | 2 | 1 | 0 | benzenetriol | mouse metabolite |
malondialdehyde Malondialdehyde: The dialdehyde of malonic acid.. malonaldehyde : A dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form. | 2.48 | 2 | 0 | dialdehyde | biomarker |
2-benzoquinone 2-benzoquinone: reacts with methionines of RNAase at pH 1; reagent for determining conformational differences in related proteins. 1,2-benzoquinone : A benzoquinone resulting from the formal oxidation of catechol. | 2.06 | 1 | 0 | 1,2-benzoquinones; benzoquinone | |
pentachlorobenzene pentachlorobenzene: structure. pentachlorobenzene : A member of the class of pentachlorobenzenes that is benzene in which five of the hydrogens are replaced by chlorines. Now classed as a persistent organic pollutant under the Stockholm Convention. | 2.5 | 2 | 0 | pentachlorobenzenes | persistent organic pollutant |
2,4-dibromophenol 2,4-dibromophenol : A bromophenol that is phenol in which the hydrogens at positions 2 and 4 have been replaced by bromines. | 2.06 | 1 | 0 | brominated flame retardant; bromophenol; dibromobenzene | marine metabolite |
1,2,3,4-tetrachlorobenzene 1,2,3,4-tetrachlorobenzene : A tetrachlorobenzene carrying chloro groups at positions 1, 2 , 3 and 4.. tetrachlorobenzene : Any member of the class of chlorobenzenes carrying four chloro groups at unspecified positions. | 2.15 | 1 | 0 | tetrachlorobenzene | |
decabromobiphenyl ether decabromobiphenyl ether: a flame retardant. decabromodiphenyl ether : A polybromodiphenyl ether that is diphenyl ether in which all of the hydrogens have been replaced by bromines. | 2.66 | 2 | 0 | polybromodiphenyl ether | neurotoxin |
2,2'-biphenol biphenyl-2,2'-diol : A member of the class of hydroxybiphenyls carrying hydroxy groups at positions 2 and 2'. | 2.02 | 1 | 0 | hydroxybiphenyls | |
4-chlorocatechol 4-chlorocatechol : A chlorocatechol that is catechol substituted by a chloro group at position 4. | 2.06 | 1 | 0 | chlorocatechol; monochlorobenzenes | bacterial xenobiotic metabolite |
mercury Mercury: A silver metallic element that exists as a liquid at room temperature. It has the atomic symbol Hg (from hydrargyrum, liquid silver), atomic number 80, and atomic weight 200.59. Mercury is used in many industrial applications and its salts have been employed therapeutically as purgatives, antisyphilitics, disinfectants, and astringents. It can be absorbed through the skin and mucous membranes which leads to MERCURY POISONING. Because of its toxicity, the clinical use of mercury and mercurials is diminishing.. mercury(0) : Elemental mercury of oxidation state zero. | 2.75 | 3 | 0 | elemental mercury; zinc group element atom | neurotoxin |
palladium Palladium: A chemical element having an atomic weight of 106.4, atomic number of 46, and the symbol Pd. It is a white, ductile metal resembling platinum, and following it in abundance and importance of applications. It is used in dentistry in the form of gold, silver, and copper alloys.. palladium : Chemical element (nickel group element atom) with atomic number 46. | 2.47 | 2 | 0 | metal allergen; nickel group element atom; platinum group metal atom | |
titanium Titanium: A dark-gray, metallic element of widespread distribution but occurring in small amounts with atomic number, 22, atomic weight, 47.867 and symbol, Ti; specific gravity, 4.5; used for fixation of fractures. | 2.02 | 1 | 0 | titanium group element atom | |
cadmium Cadmium: An element with atomic symbol Cd, atomic number 48, and atomic weight 112.41. It is a metal and ingestion will lead to CADMIUM POISONING.. elemental cadmium : An element in the zinc group of the periodic table with atomic number 48, atomic mass 112, M.P. 321degreeC, and B.P. 765degreeC). An odourless, tasteless, and highly poisonous soft, ductile, lustrous metal with electropositive properties. It has eight stable isotopes: (106)Cd, (108)Cd,(110)Cd, (111)Cd, (112)Cd, (113)Cd, (114)Cd and (116)Cd, with (112)Cd and (114)Cd being the most common. | 2.03 | 1 | 0 | cadmium molecular entity; zinc group element atom | |
chromium Chromium: A trace element that plays a role in glucose metabolism. It has the atomic symbol Cr, atomic number 24, and atomic weight 52. According to the Fourth Annual Report on Carcinogens (NTP85-002,1985), chromium and some of its compounds have been listed as known carcinogens.. chromium ion : An chromium atom having a net electric charge.. chromium atom : A chromium group element atom that has atomic number 24. | 2.03 | 1 | 0 | chromium group element atom; metal allergen | micronutrient |
xenon Xenon: A noble gas with the atomic symbol Xe, atomic number 54, and atomic weight 131.30. It is found in the earth's atmosphere and has been used as an anesthetic. | 2.11 | 1 | 0 | monoatomic xenon; noble gas atom; p-block element atom | |
yttrium Yttrium: An element of the rare earth family of metals. It has the atomic symbol Y, atomic number 39, and atomic weight 88.91. In conjunction with other rare earths, yttrium is used as a phosphor in television receivers and is a component of the yttrium-aluminum garnet (YAG) lasers. | 2.02 | 1 | 0 | d-block element atom; rare earth metal atom; scandium group element atom | |
cupric chloride cupric chloride: RN given refers to unlabeled parent cpd. copper(II) chloride : An inorganic chloride of copper in which the metal is in the +2 oxidation state. | 3.16 | 5 | 0 | copper molecular entity; inorganic chloride | EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor |
antimony pentachloride [no description available] | 1.94 | 1 | 0 | | |
bromine Bromine: A halogen with the atomic symbol Br, atomic number 35, and atomic weight 79.904. It is a volatile reddish-brown liquid that gives off suffocating vapors, is corrosive to the skin, and may cause severe gastroenteritis if ingested. | 2.49 | 2 | 0 | diatomic bromine | |
chlorine Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family. | 4.93 | 11 | 0 | diatomic chlorine; gas molecular entity | bleaching agent |
cupric bromide [no description available] | 2.1 | 1 | 0 | | |
titanium dioxide titanium dioxide: used medically as protectant against externally caused irritation & sunlight; high concentrations of dust may cause irritation to respiratory tract; RN given refers to titanium oxide (TiO2); structure. titanium dioxide : A titanium oxide with the formula TiO2. A naturally occurring oxide sourced from ilmenite, rutile and anatase, it has a wide range of applications. | 2.02 | 1 | 0 | titanium oxides | food colouring |
4-bromocatechol 4-bromocatechol: metabolite of bromobenzene | 2.06 | 1 | 0 | catechols | |
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. | 2.05 | 1 | 0 | ortho- and peri-fused polycyclic arene | fluorescent probe; persistent organic pollutant |
2-chlorodibenzofuran 2-chlorodibenzofuran: structure | 2.04 | 1 | 0 | | |
alkenes [no description available] | 2.04 | 1 | 0 | | |
1,2,3,4-tetrachlorodibenzodioxin 1,2,3,4-tetrachlorodibenzodioxin: structure given in first source | 2.8 | 3 | 0 | polychlorinated dibenzodioxine | |
pcb 118 [no description available] | 2.1 | 1 | 0 | dichlorobenzene; pentachlorobiphenyl; trichlorobenzene | |
2,4,5,2',4',5'-hexachlorobiphenyl [no description available] | 2.07 | 1 | 0 | hexachlorobiphenyl | |
1,2,3,4,6,7,8-heptachlorodibenzodioxin 1,2,3,4,6,7,8-heptachlorodibenzodioxin: contaminant of pentachlorophenol | 2.51 | 2 | 0 | polychlorinated dibenzodioxine | |
1,2-bis(2,4,6-tribromophenoxy)ethane 1,2-bis(2,4,6-tribromophenoxy)ethane: structure given in first source | 2.15 | 1 | 0 | | |
2-chlorodibenzo-4-dioxin 2-chlorodibenzo-4-dioxin: RN given refers to parent cpd | 2 | 1 | 0 | | |
agent orange Agent Orange: A herbicide that contains equal parts of 2,4-dichlorophenoxyacetic acid (2,4-D) and 2,4,5-trichlorophenoxyacetic acid (2,4,5-T), as well as traces of the contaminant 2,3,7,8-tetrachlorodibenzo-p-dioxin. | 2.11 | 1 | 0 | | |
1,2,3,7,8-pentachlorodibenzo-p-dioxin [no description available] | 2.05 | 1 | 0 | polychlorinated dibenzodioxine | |
2,3,7,8-tetrabromodibenzo-4-dioxin 2,3,7,8-tetrabromodibenzo-4-dioxin: structure given in first source. 2,3,7,8-tetrabromodibenzodioxine : An organobromine compound that is dibenzodioxine carrying four bromo substituents at positions 2, 3, 7 and 8. | 2.42 | 2 | 0 | dibenzodioxine; organobromine compound | |
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 | 2.41 | 2 | 0 | polychlorinated dibenzofuran | |
2,3,4,7,8-pentachlorodibenzofuran 2,3,4,7,8-pentachlorodibenzofuran: structure given in first source | 2.13 | 1 | 0 | polychlorinated dibenzofuran | |
1,2,3,6,7,8-hexachlorodibenzodioxin 1,2,3,6,7,8-hexachlorodibenzodioxin: contaminant of pentachlorophenol | 2.1 | 1 | 0 | polychlorinated dibenzodioxine | |
cuprous chloride cuprous chloride: RN given refers to unlabeled cpd. copper(I) chloride : An inorganic chloride of copper in which the metal is in the +1 oxidation state. | 2.06 | 1 | 0 | copper molecular entity; inorganic chloride | agrochemical; molluscicide |
3,4,5,3',4'-pentachlorobiphenyl 3,3',4,4',5-pentachlorobiphenyl : A pentachlorobiphenyl in which the chlorines are located at the 3, 4, 5, 3', and 4' positions. | 2.11 | 1 | 0 | pentachlorobiphenyl; trichlorobenzene | |
chlorin chlorin: RN given refers to parent cpd; structure. chlorin : A tetrapyrrole fundamental parent that is obtained by formal hydrogenation across the 2,3-double bond of porphyrin. | 2.03 | 1 | 0 | | |
triazoles Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms. | 2.45 | 2 | 0 | 1,2,3-triazole | |
delphinidin Paraffin: A mixture of solid hydrocarbons obtained from petroleum. It has a wide range of uses including as a stiffening agent in ointments, as a lubricant, and as a topical anti-inflammatory. It is also commonly used as an embedding material in histology.. delphinidin chloride : An anthocyanidin chloride that has delphinidin as the cationic counterpart. | 2.08 | 1 | 0 | anthocyanidin chloride | |
perfluorooctane sulfonic acid perfluorooctane-1-sulfonic acid : A perfluoroalkanesulfonic acid that is octane-1-sulfonic acid in which all seventeen of the hydrogens that are attached to carbons hvae been replaced by fluorines. | 2.05 | 1 | 0 | perfluoroalkanesulfonic acid | antilipemic drug; persistent organic pollutant |
4-chlorosalicylic acid [no description available] | 2.04 | 1 | 0 | | |
1,4-dioxin 1,4-dioxine : An oxacycle that is 4H-pyran in which the methylene group at position 4 is replaced by an oxygen. Non-aromatic. | 2.9 | 4 | 0 | oxacycle | |
2,2',4,4'-tetrabromodiphenyl ether [no description available] | 2.58 | 2 | 0 | aromatic ether; organobromine compound | |
3,3'-diiodothyronine 3,3'-diiodothyronine: RN given refers to unlabeled cpd without isomeric designation | 1.99 | 1 | 0 | 3,3'-diiodothyronine; amino acid zwitterion | human metabolite |
phenoxy radical phenoxy radical : An organic radical generated from phenol. | 2.5 | 2 | 0 | organic radical | |
hydroxyl radical Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent. | 2.98 | 4 | 0 | oxygen hydride; oxygen radical; reactive oxygen species | |
fenton's reagent Fenton's reagent: used for oxidizing sugars & alcohols | 2.05 | 1 | 0 | | |
4-fluorocatechol 4-fluorocatechol: structure given in first source | 2.06 | 1 | 0 | catechols | |
lignin Lignin: The most abundant natural aromatic organic polymer found in all vascular plants. Lignin together with cellulose and hemicellulose are the major cell wall components of the fibers of all wood and grass species. Lignin is composed of coniferyl, p-coumaryl, and sinapyl alcohols in varying ratios in different plant species. (From Merck Index, 11th ed). lignin : A polyphenylpropanoid derived from three monolignol monomers: trans-p-coumaryl alcohol, coniferol and trans-sinapyl alcohol. There is extensive cross-linking and no defined primary structure. | 2.01 | 1 | 0 | | |
benzofurans Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring. | 9.81 | 225 | 0 | | |
3-chlorodibenzofuran 3-chlorodibenzofuran: structure given in first source | 2.04 | 1 | 0 | | |
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. | 1.93 | 1 | 0 | alkali metal atom | |
lead Lead: A soft, grayish metal with poisonous salts; atomic number 82, atomic weight 207.2, symbol Pb. | 2.42 | 2 | 0 | carbon group element atom; elemental lead; metal atom | neurotoxin |
antimony Antimony: A metallic element that has the atomic symbol Sb, atomic number 51, and atomic weight 121.75. It is used as a metal alloy and as medicinal and poisonous salts. It is toxic and an irritant to the skin and the mucous membranes. | 1.94 | 1 | 0 | metalloid atom; pnictogen | |
aluminum Aluminum: A metallic element that has the atomic number 13, atomic symbol Al, and atomic weight 26.98. | 2.47 | 2 | 0 | boron group element atom; elemental aluminium; metal atom | |
sulfur Sulfur: An element that is a member of the chalcogen family. It has an atomic symbol S, atomic number 16, and atomic weight [32.059; 32.076]. It is found in the amino acids cysteine and methionine. | 2.36 | 2 | 0 | chalcogen; nonmetal atom | macronutrient |
2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate 2-hydroxy-6-oxo-6-phenyl-2,4-hexadienoic acid: metabolic product of biphenyl; from Pseudomonas putida; RN given refers to cpd without isomeric designation; structure. 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid : Penta-2,4-dienoic acid in which the hydrogen at position 2 is substituted by hydroxy and one of the hydrogens at position 5 is substituted by a benzoyl group. It is a metabolic product of biphenyl from Pseudomonas putida. | 2.03 | 1 | 0 | | |
boron Boron: A trace element with the atomic symbol B, atomic number 5, and atomic weight [10.806; 10.821]. Boron-10, an isotope of boron, is used as a neutron absorber in BORON NEUTRON CAPTURE THERAPY. | 2.11 | 1 | 0 | boron group element atom; metalloid atom; nonmetal atom | micronutrient |
ammonium sulfate Ammonium Sulfate: Sulfuric acid diammonium salt. It is used in CHEMICAL FRACTIONATION of proteins.. ammonium sulfate : An inorganic sulfate salt obtained by reaction of sulfuric acid with two equivalents of ammonia. A high-melting (decomposes above 280degreeC) white solid which is very soluble in water (70.6 g/100 g water at 0degreeC; 103.8 g/100 g water at 100degreeC), it is widely used as a fertilizer for alkaline soils. | 2.1 | 1 | 0 | ammonium salt; inorganic sulfate salt | fertilizer |
zeolites [no description available] | 2.02 | 1 | 0 | | |
aluminum oxide Aluminum Oxide: An oxide of aluminum, occurring in nature as various minerals such as bauxite, corundum, etc. It is used as an adsorbent, desiccating agent, and catalyst, and in the manufacture of dental cements and refractories. | 2.02 | 1 | 0 | | |
opium oxychlordane: metabolite of chlordan more toxic to mammals than parent cpd; structure | 2.08 | 1 | 0 | oxanes | |
salicylates Salicylates: The salts or esters of salicylic acids, or salicylate esters of an organic acid. Some of these have analgesic, antipyretic, and anti-inflammatory activities by inhibiting prostaglandin synthesis.. hydroxybenzoate : Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent.. salicylates : Any salt or ester arising from reaction of the carboxy group of salicylic acid, or any ester resulting from the condensation of the phenolic hydroxy group of salicylic acid with an organic acid.. salicylate : A monohydroxybenzoate that is the conjugate base of salicylic acid. | 2.4 | 2 | 0 | monohydroxybenzoate | plant metabolite |
clay Clay: A naturally-occurring rock or soil constituent characterized by particles with a diameter of less than 0.005 mm. It is composed primarily of hydrous aluminum silicates, trace amounts of metal OXIDES, and organic matter. | 2.55 | 2 | 0 | | |
deoxyguanosine [no description available] | 2.04 | 1 | 0 | purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
8-hydroxy-2'-deoxyguanosine 8-Hydroxy-2'-Deoxyguanosine: Common oxidized form of deoxyguanosine in which C-8 position of guanine base has a carbonyl group.. 8-hydroxy-2'-deoxyguanosine : Guanosine substituted at the purine 8-position by a hydroxy group. It is used as a biomarker of oxidative DNA damage. | 2.04 | 1 | 0 | guanosines | biomarker |
mordenite [no description available] | 2.02 | 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. | 2.01 | 1 | 0 | | |