| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
acetaldehyde
Acetaldehyde: A colorless, flammable liquid used in the manufacture of acetic acid, perfumes, and flavors. It is also an intermediate in the metabolism of alcohol. It has a general narcotic action and also causes irritation of mucous membranes. Large doses may cause death from respiratory paralysis.. acetaldehyde : The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke.. aldehyde : A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.. acetyl group : A group, formally derived from acetic acid by dehydroxylation, which is fundamental to the biochemistry of all forms of life. When bound to coenzyme A, it is central to the metabolism of carbohydrates and fats. | 1.97 | 1 | 0 | aldehyde | carcinogenic agent;
EC 3.5.1.4 (amidase) inhibitor;
electron acceptor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
mutagen;
oxidising agent;
Saccharomyces cerevisiae metabolite;
teratogenic agent |
acetone
methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H). | 2.45 | 2 | 0 | ketone body;
methyl ketone;
propanones;
volatile organic compound | EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent |
adenine
[no description available] | 1.97 | 1 | 0 | 6-aminopurines;
purine nucleobase | Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
benzene
[no description available] | 2.4 | 2 | 0 | aromatic annulene;
benzenes;
volatile organic compound | carcinogenic agent;
environmental contaminant;
non-polar solvent |
1-butanol
1-Butanol: A four carbon linear hydrocarbon that has a hydroxy group at position 1.. butan-1-ol : A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes. | 1.96 | 1 | 0 | alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol | human metabolite;
mouse metabolite;
protic solvent |
chlorine
chloride : A halide anion formed when chlorine picks up an electron to form an an anion. | 2.05 | 1 | 0 | halide anion;
monoatomic chlorine | cofactor;
Escherichia coli metabolite;
human metabolite |
coumarin
2H-chromen-2-one: coumarin derivative | 1.99 | 1 | 0 | coumarins | fluorescent dye;
human metabolite;
plant metabolite |
cytosine
[no description available] | 1.97 | 1 | 0 | aminopyrimidine;
pyrimidine nucleobase;
pyrimidone | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
dimethyl sulfoxide
Dimethyl Sulfoxide: A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during CRYOPRESERVATION. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation.. dimethyl sulfoxide : A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents. | 2.69 | 3 | 0 | sulfoxide;
volatile organic compound | alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger |
formaldehyde
paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy | 2.89 | 4 | 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. | 2.1 | 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] | 2.07 | 1 | 0 | naphthalenes;
ortho-fused bicyclic arene | apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component |
nickel
Nickel: A trace element with the atomic symbol Ni, atomic number 28, and atomic weight 58.69. It is a cofactor of the enzyme UREASE.. nickel ion : A nickel atom having a net electric charge.. nickel atom : Chemical element (nickel group element atom) with atomic number 28. | 2.08 | 1 | 0 | metal allergen;
nickel group element atom | epitope;
micronutrient |
4-nitrophenol
4-nitrophenol: RN given refers to parent cpd. mononitrophenol : A nitrophenol that is phenol carrying a single nitro substituent at unspecified position.. 4-nitrophenol : A member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group. | 1.99 | 1 | 0 | 4-nitrophenols | human xenobiotic metabolite;
mouse metabolite |
propionic acid
propionic acid : A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group. | 4.4 | 3 | 0 | saturated fatty acid;
short-chain fatty acid | antifungal drug |
toluene
methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups. | 2.41 | 1 | 0 | methylbenzene;
toluenes;
volatile organic compound | cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent |
4-aminopyridine
[no description available] | 2.08 | 1 | 0 | aminopyridine;
aromatic amine | avicide;
orphan drug;
potassium channel blocker |
altretamine
Altretamine: A hexamethyl-2,4,6-triamine derivative of 1,3,5-triazine. | 1.98 | 1 | 0 | triamino-1,3,5-triazine | |
busulfan
[no description available] | 6.95 | 1 | 0 | methanesulfonate ester | alkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent |
chlorambucil
Chlorambucil: A nitrogen mustard alkylating agent used as antineoplastic for chronic lymphocytic leukemia, Hodgkin's disease, and others. Although it is less toxic than most other nitrogen mustards, it has been listed as a known carcinogen in the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (Merck Index, 11th ed). chlorambucil : A monocarboxylic acid that is butanoic acid substituted at position 4 by a 4-[bis(2-chloroethyl)amino]phenyl group. A chemotherapy drug that can be used in combination with the antibody obinutuzumab for the treatment of chronic lymphocytic leukemia. | 2.11 | 1 | 0 | aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent |
dichlobanil
2,6-dichlorobenzonitrile : A nitrile that is benzonitrile which is substituted by chlorines at positions 2 and 6. A cellulose synthesis inhibitor, it is used as a pre-emergent and early post-emergent herbicide. | 1.99 | 1 | 0 | dichlorobenzene;
nitrile | agrochemical;
cellulose synthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic |
ether
Ether: A mobile, very volatile, highly flammable liquid used as an inhalation anesthetic and as a solvent for waxes, fats, oils, perfumes, alkaloids, and gums. It is mildly irritating to skin and mucous membranes.. ether : An organooxygen compound with formula ROR, where R is not hydrogen.. diethyl ether : An ether in which the oxygen atom is linked to two ethyl groups. | 1.98 | 1 | 0 | ether;
volatile organic compound | inhalation anaesthetic;
non-polar solvent;
refrigerant |
ethoxyresorufin
ethoxyresorufin: structure | 1.97 | 1 | 0 | phenoxazine | |
fomepizole
Fomepizole: A pyrazole and competitive inhibitor of ALCOHOL DEHYDROGENASE that is used for the treatment of poisoning by ETHYLENE GLYCOL or METHANOL.. fomepizole : A member of the class of pyrazoles that is 1H-pyrazole substituted by a methyl group at position 4. | 1.99 | 1 | 0 | pyrazoles | antidote;
EC 1.1.1.1 (alcohol dehydrogenase) inhibitor;
protective agent |
indomethacin
Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.. indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis. | 2.15 | 1 | 0 | aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole | analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic |
methenamine
Methenamine: An anti-infective agent most commonly used in the treatment of urinary tract infections. Its anti-infective action derives from the slow release of formaldehyde by hydrolysis at acidic pH. (From Martindale, The Extra Pharmacopoeia, 30th ed, p173). hexamethylenetetramine : A polycyclic cage that is adamantane in which the carbon atoms at positions 1, 3, 5 and 7 are replaced by nitrogen atoms. | 1.96 | 1 | 0 | polyazaalkane;
polycyclic cage;
tetramine | antibacterial drug |
methoxsalen
Methoxsalen: A naturally occurring furocoumarin compound found in several species of plants, including Psoralea corylifolia. It is a photoactive substance that forms DNA ADDUCTS in the presence of ultraviolet A irradiation.. methoxsalen : A member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis. | 1.99 | 1 | 0 | aromatic ether;
psoralens | antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite |
methyl methanesulfonate
[no description available] | 2.67 | 3 | 0 | methanesulfonate ester | alkylating agent;
apoptosis inducer;
carcinogenic agent;
genotoxin;
mutagen |
metyrapone
Metyrapone: An inhibitor of the enzyme STEROID 11-BETA-MONOOXYGENASE. It is used as a test of the feedback hypothalamic-pituitary mechanism in the diagnosis of CUSHING SYNDROME.. metyrapone : An aromatic ketone that is 3,3-dimethylbutan-2-one in which the methyl groups at positions 1 and 4 are replaced by pyridin-3-yl groups. A steroid 11beta-monooxygenase (EC 1.14.15.4) inhibitor, it is used in the diagnosis of adrenal insufficiency. | 2.39 | 2 | 0 | aromatic ketone | antimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor |
phenacetin
Saridon: contains phenacetin, caffeine, propyphenazone & pyrithyldione | 1.97 | 1 | 0 | acetamides;
aromatic ether | cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug |
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. | 1.98 | 1 | 0 | barbiturates | anticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative |
safrole
Safrole: A member of the BENZODIOXOLES that is a constituent of several VOLATILE OILS, notably SASSAFRAS oil. It is a precursor in the synthesis of the insecticide PIPERONYL BUTOXIDE and the drug N-methyl-3,4-methylenedioxyamphetamine (MDMA).. safrole : A member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted by an allyl group at position 5. It is found in several plants, including black pepper, cinnamon and nutmeg, and is present in several essential oils, notably that of sassafras. It has insecticidal properties and has been used as a topical antiseptic. Although not thought to pose a significant carcinogenic risk to humans, findings of weak carcinogenicity in rats have resulted in the banning of its (previously widespread) use in perfumes and soaps, and as a food additive. | 1.98 | 1 | 0 | benzodioxoles | flavouring agent;
insecticide;
metabolite;
plant metabolite |
thiotepa
Thiotepa: A very toxic alkylating antineoplastic agent also used as an insect sterilant. It causes skin, gastrointestinal, CNS, and bone marrow damage. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), thiotepa may reasonably be anticipated to be a carcinogen (Merck Index, 11th ed). | 2.36 | 2 | 0 | aziridines | |
urethane
[no description available] | 1.98 | 1 | 0 | carbamate ester | fungal metabolite;
mutagen |
mitomycin
Mitomycin: An antineoplastic antibiotic produced by Streptomyces caespitosus. It is one of the bi- or tri-functional ALKYLATING AGENTS causing cross-linking of DNA and inhibition of DNA synthesis.. mitomycin : A family of aziridine-containing natural products isolated from Streptomyces caespitosus or Streptomyces lavendulae. | 2.11 | 1 | 0 | mitomycin | alkylating agent;
antineoplastic agent |
thymidine
[no description available] | 1.94 | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite |
2-acetylaminofluorene
2-Acetylaminofluorene: A hepatic carcinogen whose mechanism of activation involves N-hydroxylation to the aryl hydroxamic acid followed by enzymatic sulfonation to sulfoxyfluorenylacetamide. It is used to study the carcinogenicity and mutagenicity of aromatic amines. | 1.99 | 1 | 0 | 2-acetamidofluorenes | antimitotic;
carcinogenic agent;
epitope;
mutagen |
aminopyrine
Aminopyrine: A pyrazolone with analgesic, anti-inflammatory, and antipyretic properties but has risk of AGRANULOCYTOSIS. A breath test with 13C-labeled aminopyrine has been used as a non-invasive measure of CYTOCHROME P-450 metabolic activity in LIVER FUNCTION TESTS.. aminophenazone : A pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a dimethylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It exhibits analgesic, anti-inflammatory, and antipyretic properties. | 1.97 | 1 | 0 | pyrazolone;
tertiary amino compound | antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
bromodeoxyuridine
Bromodeoxyuridine: A nucleoside that substitutes for thymidine in DNA and thus acts as an antimetabolite. It causes breaks in chromosomes and has been proposed as an antiviral and antineoplastic agent. It has been given orphan drug status for use in the treatment of primary brain tumors. | 1.97 | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent |
ethyl methanesulfonate
Ethyl Methanesulfonate: An antineoplastic agent with alkylating properties. It also acts as a mutagen by damaging DNA and is used experimentally for that effect.. ethyl methanesulfonate : A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with ethanol. | 1.98 | 1 | 0 | methanesulfonate ester | alkylating agent;
antineoplastic agent;
carcinogenic agent;
genotoxin;
mutagen;
teratogenic agent |
colchicine
(S)-colchicine : A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions. | 1.99 | 1 | 0 | alkaloid;
colchicine | anti-inflammatory agent;
gout suppressant;
mutagen |
dimethylformamide
Dimethylformamide: A formamide in which the amino hydrogens are replaced by methyl groups.. N,N-dimethylformamide : A member of the class of formamides that is formamide in which the amino hydrogens are replaced by methyl groups. | 1.99 | 1 | 0 | formamides;
volatile organic compound | geroprotector;
hepatotoxic agent;
polar aprotic solvent |
arginine
Arginine: An essential amino acid that is physiologically active in the L-form.. arginine : An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group. | 1.96 | 1 | 0 | arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
acetylene
[no description available] | 2.07 | 1 | 0 | alkyne;
gas molecular entity;
terminal acetylenic compound | |
vinyl chloride
Vinyl Chloride: A gas that has been used as an aerosol propellant and is the starting material for polyvinyl resins. Toxicity studies have shown various adverse effects, particularly the occurrence of liver neoplasms.. chloroethene : A monohaloethene that is ethene in which one of the hydrogens has been replaced by a chloro group. | 1.98 | 1 | 0 | chloroethenes;
gas molecular entity;
monohaloethene | carcinogenic agent |
cyclopropane
cyclopropane : A cycloalkane composed of three carbon atoms to form a ring. | 2 | 1 | 0 | cycloalkane;
cyclopropanes | inhalation anaesthetic |
trifluoroacetic acid
Trifluoroacetic Acid: A very strong halogenated derivative of acetic acid. It is used in acid catalyzed reactions, especially those where an ester is cleaved in peptide synthesis.. trifluoroacetic acid : A monocarboxylic acid that is the trifluoro derivative of acetic acid. | 2.15 | 1 | 0 | fluoroalkanoic acid | human xenobiotic metabolite;
NMR chemical shift reference compound;
reagent |
dimethyl sulfate
dimethyl sulfate: RN given refers to unlabeled cpd; structure. dimethyl sulfate : The dimethyl ester of sulfuric acid. | 3.09 | 1 | 0 | alkyl sulfate | alkylating agent;
immunosuppressive agent |
isatin
tribulin: endogenous MONOAMINE OXIDASE inhibitory activity extractable into ethyl acetate found in brain and many mammalian tissues and fluids; ISATIN is a major component; produced in excess following alcohol withdrawal; | 1.98 | 1 | 0 | indoledione | EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite |
methyl benzoate
methyl benzoate : A benzoate ester obtained by condensation of benzoic acid and methanol. | 2.07 | 1 | 0 | benzoate ester;
methyl ester | insect attractant;
metabolite |
2-toluidine
2-toluidine: RN given refers to parent cpd. o-toluidine : An aminotoluene in which the amino substituent is ortho to the methyl group. | 1.98 | 1 | 0 | aminotoluene | carcinogenic agent |
soman
Soman: An organophosphorus compound that inhibits cholinesterase. It causes seizures and has been used as a chemical warfare agent. | 1.99 | 1 | 0 | phosphonic ester | |
benzonitrile
benzonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group. | 2.07 | 1 | 0 | benzenes;
nitrile | |
epichlorohydrin
Epichlorohydrin: A chlorinated epoxy compound used as an industrial solvent. It is a strong skin irritant and carcinogen.. epichlorohydrin : An epoxide that is 1,2-epoxypropene in which one of the methyl hydrogens is substituted by chlorine. | 1.96 | 1 | 0 | epoxide;
organochlorine compound | |
acrylonitrile
[no description available] | 1.98 | 1 | 0 | aliphatic nitrile;
volatile organic compound | antifungal agent;
carcinogenic agent;
fungal metabolite;
mutagen;
polar aprotic solvent |
3-hydroxybutanal
[no description available] | 2.05 | 1 | 0 | | |
diisopropylamine
diisopropylamine: structure given in first source | 2.03 | 1 | 0 | | |
pyrroles
1H-pyrrole : A tautomer of pyrrole that has the double bonds at positions 2 and 4.. pyrrole : A five-membered monocyclic heteroarene comprising one NH and four CH units which forms the parent compound of the pyrrole group of compounds. Its five-membered ring structure has three tautomers. A 'closed class'.. azole : Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen. | 2.52 | 2 | 0 | pyrrole;
secondary amine | |
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 |
bis(2-chloroethyl)ether
bis(2-chloroethyl)ether: structure | 1.98 | 1 | 0 | ether | |
diethylhexyl phthalate
Diethylhexyl Phthalate: An ester of phthalic acid. It appears as a light-colored, odorless liquid and is used as a plasticizer for many resins and elastomers.. bis(2-ethylhexyl) phthalate : A phthalate ester that is the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid. | 1.98 | 1 | 0 | diester;
phthalate ester | androstane receptor agonist;
apoptosis inhibitor;
plasticiser |
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. | 2.02 | 1 | 0 | naphthol | antinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger |
thiazoles
[no description available] | 1.95 | 1 | 0 | 1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
nickel acetate
[no description available] | 2.08 | 1 | 0 | | |
fluorobenzenes
Fluorobenzenes: Derivatives of BENZENE that contain FLUORINE.. monofluorobenzene : The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent.. fluorobenzenes : Any fluoroarene that is a benzene or a substituted benzene carrying at least one fluoro group. | 2 | 1 | 0 | monofluorobenzenes | NMR chemical shift reference compound |
biphenylacetylene
biphenylacetylene : An arylacetylene that is acetylene in which the hydrogens are replaced by phenyl groups. | 2.07 | 1 | 0 | arylacetylene;
benzenes | fluorochrome |
1-chloro-2-methylpropene
[no description available] | 1.98 | 1 | 0 | organochlorine compound | |
phenylacetylene
phenylacetylene: can polymerize into DENDRIMERS | 2.07 | 1 | 0 | benzenes | |
triethylenephosphoramide
Triethylenephosphoramide: An insect chemosterilant and an antineoplastic agent. | 4.14 | 5 | 0 | phosphoramide | |
(s)-binol
(1,1'-binaphthalene)-2,2'-diol: structure in first source | 2.02 | 1 | 0 | naphthols | |
2-iodobenzenamine
2-iodobenzenamine: structure in first source | 2.1 | 1 | 0 | | |
pinacolyl methylphosphonic acid
pinacolyl methylphosphonic acid: structure in first source | 1.99 | 1 | 0 | | |
dimethyl methylphosphonate
[no description available] | 1.98 | 1 | 0 | | |
ethylnitrosourea
Ethylnitrosourea: A nitrosourea compound with alkylating, carcinogenic, and mutagenic properties.. N-ethyl-N-nitrosourea : A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by ethyl and nitroso groups. | 2.39 | 2 | 0 | N-nitrosoureas | alkylating agent;
carcinogenic agent;
genotoxin;
mutagen |
triphenylphosphine oxide
triphenylphosphine oxide: used in the extraction, separation & spectrophotometric determination of cadmium & mercury in environmental samples. triphenylphosphane oxide : A phosphine oxide in which the substituents on phosphorus are three phenyl groups. | 2.04 | 1 | 0 | phosphine oxide | NMR chemical shift reference compound |
4-dimethylaminopyridine
4-dimethylaminopyridine: catalyst for acetylation of hydroxy cpds; structure | 2.08 | 1 | 0 | dialkylarylamine;
tertiary amino compound | |
sodium hydroxide
Sodium Hydroxide: A highly caustic substance that is used to neutralize acids and make sodium salts. (From Merck Index, 11th ed) | 1.97 | 1 | 0 | alkali metal hydroxide | |
dimethylol dihydroxyethyleneurea
dimethylol dihydroxyethyleneurea: used in cotton or cotton-polyester blend fabric | 1.98 | 1 | 0 | | |
1,4-bis(2,3-epoxypropoxy)butane
[no description available] | 1.98 | 1 | 0 | | |
n,n,n',n'',n''-pentamethyldiethylenetriamine
N,N,N',N'',N''-pentamethyldiethylenetriamine: structure in first source | 2.05 | 1 | 0 | polyazaalkane | |
carbonates
Carbonates: Salts or ions of the theoretical carbonic acid, containing the radical CO2(3-). Carbonates are readily decomposed by acids. The carbonates of the alkali metals are water-soluble; all others are insoluble. (From Grant & Hackh's Chemical Dictionary, 5th ed). carbonates : Organooxygen compounds that are salts or esters of carbonic acid, H2CO3. | 2 | 1 | 0 | carbon oxoanion | |
isopropyl glycidyl ether
isopropyl glycidyl ether: RN & structure given in first source | 1.98 | 1 | 0 | | |
samarium
Samarium: An element of the rare earth family of metals. It has the atomic symbol Sm, atomic number 62, and atomic weight 150.36. The oxide is used in the control rods of some nuclear reactors. | 3.18 | 5 | 0 | f-block element atom;
lanthanoid 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. | 2.02 | 1 | 0 | chromium group element atom;
metal allergen | micronutrient |
phosphoric acid, trisodium salt
[no description available] | 1.98 | 1 | 0 | sodium phosphate | |
deuterium
Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus. | 2.13 | 1 | 0 | dihydrogen | |
trichlorosilane
[no description available] | 2.49 | 2 | 0 | | |
silicon tetrachloride
[no description available] | 2.05 | 1 | 0 | | |
cesium fluoride
cesium fluoride: RN given refers to above cpd | 3.08 | 1 | 0 | | |
fluorides
[no description available] | 3.08 | 1 | 0 | halide anion;
monoatomic fluorine | |
iodine
[no description available] | 3.18 | 5 | 0 | halide anion;
monoatomic iodine | human metabolite |
phenyl acetate
phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid. | 2.08 | 1 | 0 | benzenes;
phenyl acetates | |
1-chloro-2-propanol
1-chloro-2-propanol: RN given refers to cpd without isomeric designation. 1-chloropropan-2-ol : A secondary alcohol that is isopropanol in which one of the methyl hydrogen atoms is substituted by chlorine. | 1.98 | 1 | 0 | organochlorine compound;
secondary alcohol | |
dimethylacetamide
hallucinogen : Drugs capable of inducing illusions, hallucinations, delusions, paranoid ideations and other alterations of mood and thinking.. N,N-dimethylacetamide : A member of the class of acetamides that is acetamide in which the hydrogens attached to the N atom have been replaced by two methyl groups respectively. Metabolite observed in cancer metabolism. | 1.99 | 1 | 0 | acetamides;
monocarboxylic acid amide | human metabolite |
alkenes
[no description available] | 2.01 | 1 | 0 | | |
4-acetylaminofluorene
4-acetylaminofluorene : A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen is replaced by a 9H-fluoren-4-yl group. | 1.99 | 1 | 0 | acetamides;
fluorenes | mitogen |
7-ethoxycoumarin
7-ethoxycoumarin : A member of the class of coumarins that is umbelliferone in which the hydroxy group at position 7 is replaced by an ethoxy group. | 1.97 | 1 | 0 | aromatic ether;
coumarins | |
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. | 3.11 | 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 |
adefovir
adefovir: inhibitor of African swine fever virus. adefovir(1-) : A organophosphonate oxoanion obtained by removal of a proton from the phosphonate group of adefovir, a nucleoside reverse transcriptase inhibitor. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).. adefovir : A member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens has been replaced by a 2-(6-amino-9H-purin-9-yl)ethoxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(t-butoxycarbonyloxymethyl) ester (dipivoxil ester) prodrug is used to treat chronic hepatitis B viral infection. | 1.97 | 1 | 0 | 6-aminopurines;
ether;
phosphonic acids | antiviral drug;
DNA synthesis inhibitor;
drug metabolite;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent |
cidofovir anhydrous
Cidofovir: An acyclic nucleoside phosphonate that acts as a competitive inhibitor of viral DNA polymerases. It is used in the treatment of RETINITIS caused by CYTOMEGALOVIRUS INFECTIONS and may also be useful for treating HERPESVIRUS INFECTIONS.. cidofovir anhydrous : Cytosine substituted at the 1 position by a 3-hydroxy-2-(phosphonomethoxy)propyl group (S configuration). A nucleoside analogue, it is an injectable antiviral used for the treatment of cytomegalovirus (CMV) retinitis in AIDS patients. | 1.97 | 1 | 0 | phosphonic acids;
pyrimidone | anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent |
metepa
[no description available] | 2.36 | 2 | 0 | phosphoramide | |
trifluoromethanesulfonic acid
trifluoromethanesulfonic acid: deblocking reagent for peptide synthesis; RN given refers to parent cpd. triflic acid : A one-carbon compound that is methanesulfonic acid in which the hydrogens attached to the methyl carbon have been replaced by fluorines. | 2 | 1 | 0 | one-carbon compound;
perfluoroalkanesulfonic acid | |
2,3-dioxo-5-indolinesulfonic acid
2,3-dioxo-5-indolinesulfonic acid: reagent for modification of tryptophan residues in peptides & proteins | 1.98 | 1 | 0 | | |
phospho-l-arginine
phospho-L-arginine: inhibits pyruvate kinase. N(omega)-phospho-L-arginine : An arginine derivative that is L-arginine substituted by a phosphono group at N(omega)-position. | 1.96 | 1 | 0 | L-arginine derivative;
non-proteinogenic L-alpha-amino acid;
phosphagen;
phosphoamino acid | animal metabolite |
pentoxyresorufin
[no description available] | 1.97 | 1 | 0 | | |
phosphoramide
phosphoramide: RN given refers to triamide. phosphoramide : A compound in which one or more of the OH groups of phosphoric acid have been replaced with an amino or substituted amino group. The term is commonly confined to the phosphoric triamides, P(=O)(NR2)3, since replacement of one or two OH groups produces phosphoramidic acids: P(=O)(OH)(NR2)2 , P(=O)(OH)2(NR2). | 2.46 | 2 | 0 | | |
sperm motility inhibitor 2
[no description available] | 3.18 | 5 | 0 | | |
phosphorodithioic acid
dithiophosphoric acid : A phosphorothioic acid that is the phosphoric acid having two of its oxygen atoms replaced by sulfur atoms. | 2 | 1 | 0 | phosphorothioic acid | |
organophosphonates
hydrogenphosphite : A divalent inorganic anion resulting from the removal of a proton from two of the hydroxy groups of phosphorous acid. | 1.97 | 1 | 0 | divalent inorganic anion;
phosphite ion | |
demecolcine
Demecolcine: An alkaloid isolated from Colchicum autumnale L. and used as an antineoplastic.. (-)-demecolcine : A secondary amino compound that is (S)-colchicine in which the N-acetyl group is replaced by an N-methyl group. Isolable from the autumn crocus, Colchicum autumnale, it is less toxic than colchicine and is used as an antineoplastic. | 1.97 | 1 | 0 | alkaloid;
secondary amino compound | antineoplastic agent;
microtubule-destabilising agent |
benzofurans
Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring. | 2.02 | 1 | 0 | | |
brivudine
brivudine: anti-herpes agent | 1.97 | 1 | 0 | | |
methylproamine
methylproamine: a radioprotective agent; structure in first source | 2.15 | 1 | 0 | | |
diethylstilbestrol
Diethylstilbestrol: A synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed). diethylstilbestrol : An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups. | 2.38 | 2 | 0 | olefinic compound;
polyphenol | antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen |
1,4,7-trimethyl-1,4,7-triazacyclononane
[no description available] | 2.05 | 1 | 0 | | |
glycosides
[no description available] | 2.38 | 2 | 0 | | |
1,4-dichloro-2-butene
1,4-dichloro-2-butene: RN given refers to parent cpd without isomeric designation; structure | 1.96 | 1 | 0 | organochlorine compound | |
methyllithium
[no description available] | 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. | 2.53 | 2 | 0 | alkali metal atom | |
zinostatin
Zinostatin: An enediyne that alkylates DNA and RNA like MITOMYCIN does, so it is cytotoxic. | 1.95 | 1 | 0 | | |
phenylephrine hydrochloride
Nose: A part of the upper respiratory tract. It contains the organ of SMELL. The term includes the external nose, the nasal cavity, and the PARANASAL SINUSES.. phenylephrine hydrochloride : A hydrochloride that is the monohydrochloride salt of phenylephrine. | 2.36 | 2 | 0 | hydrochloride | |
oxycodone
Oxycodone: A semisynthetic derivative of CODEINE.. oxycodone : A semisynthetic opioid of formula C18H21NO4 that is derived from thebaine. It is a moderately potent opioid analgesic, generally used for relief of moderate to severe pain. | 2.11 | 1 | 0 | organic heteropentacyclic compound;
semisynthetic derivative | antitussive;
mu-opioid receptor agonist;
opioid analgesic |
cesium
Cesium: A member of the alkali metals. It has an atomic symbol Cs, atomic number 50, and atomic weight 132.91. Cesium has many industrial applications, including the construction of atomic clocks based on its atomic vibrational frequency. | 3.08 | 1 | 0 | alkali metal atom | |
clathrodin
clathrodin: structure given in first source; isolated from marine sponges of the genus Agelas | 2.08 | 1 | 0 | | |
phycocyanobilin
phycocyanobilin: tetrapyrrole prosthetic group of phycocyanin protein. phycocyanobilin : A bilin that consists of 8,12-bis(2-carboxyethyl)-18-ethyl-3-ethylidene-2,7,13,17-tetramethyl-2,3-dihydrobilin bearing two oxo substituents at positions 1 and 19. | 2.48 | 2 | 0 | | |
cysteine
Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3. | 2.41 | 1 | 0 | cysteinium | fundamental metabolite |
silicon
Silicon: A trace element that constitutes about 27.6% of the earth's crust in the form of SILICON DIOXIDE. It does not occur free in nature. Silicon has the atomic symbol Si, atomic number 14, and atomic weight [28.084; 28.086]. | 2 | 1 | 0 | carbon group element atom;
metalloid atom;
nonmetal atom | |
phosphorus
Phosphorus: A non-metal element that has the atomic symbol P, atomic number 15, and atomic weight 31. It is an essential element that takes part in a broad variety of biochemical reactions. | 1.96 | 1 | 0 | monoatomic phosphorus;
nonmetal atom;
pnictogen | macronutrient |
oroidin
oroidin: from marine sponges of the genus Agelas; structure in first source | 2.08 | 1 | 0 | pyrroles;
secondary carboxamide | metabolite |
tellurium
Tellurium: An element that is a member of the chalcogen family. It has the atomic symbol Te, atomic number 52, and atomic weight 127.60. It has been used as a coloring agent and in the manufacture of electrical equipment. Exposure may cause nausea, vomiting, and CNS depression. | 2 | 1 | 0 | chalcogen;
metalloid atom | |
phosphocreatine
Phosphocreatine: An endogenous substance found mainly in skeletal muscle of vertebrates. It has been tried in the treatment of cardiac disorders and has been added to cardioplegic solutions. (Reynolds JEF(Ed): Martindale: The Extra Pharmacopoeia (electronic version). Micromedex, Inc, Englewood, CO, 1996). phosphagen : Any of a group of guanidine or amidine phosphates that function as storage depots for high-energy phosphate in muscle with the purpose of regenerating ATP from ADP during muscular contraction.. N-phosphocreatine : A phosphoamino acid consisting of creatine having a phospho group attached at the primary nitrogen of the guanidino group. | 2.38 | 2 | 0 | phosphagen;
phosphoamino acid | human metabolite;
mouse metabolite |
hydroxycodeinone
hydroxycodeinone: RN given refers to (5alpha)-isomer; structure | 2.11 | 1 | 0 | | |
phosphoramidite
phosphoramidite: structure in first source. phosphoramidite : A compound with the general formula (RO)2PNR2. Phosphoramidites can be regarded as phosphites that have an NR2 instead of an OH group, or as amides of phosphorous acid. | 2.01 | 1 | 0 | | |
cellulose
DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications. | 1.98 | 1 | 0 | glycoside | |
3-hydroxy-5-cholestenoic acid, (3beta,25r)-isomer
cholestenoic acid: structure in first source. (25R)-3beta-hydroxycholest-5-en-26-oic acid : A 3beta-hydroxycholest-5-en-26-oic acid in which the stereocentre at position 25 has R-configuration. | 2.08 | 1 | 0 | 3beta-hydroxycholest-5-en-26-oic acid | |
warfarin
Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group. | 2.38 | 2 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |
nitrophenols
Nitrophenols: PHENOLS carrying nitro group substituents. | 1.99 | 1 | 0 | | |