| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
ethylene chlorohydrin
Ethylene Chlorohydrin: Used as a solvent, in the manufacture of insecticides, and for treating sweet potatoes before planting. May cause nausea, vomiting, pains in head and chest, stupefaction. Irritates mucous membranes and causes kidney and liver degeneration.. chloroethanol : An organochlorine compound that is ethanol substituted by at least one chloro group. | 3.05 | 1 | 0 | chloroethanol | xenobiotic metabolite |
4-hydroxybenzaldehyde
[no description available] | 1.95 | 1 | 0 | hydroxybenzaldehyde | EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite |
ethylene glycol
Ethylene Glycol: A colorless, odorless, viscous dihydroxy alcohol. It has a sweet taste, but is poisonous if ingested. Ethylene glycol is the most important glycol commercially available and is manufactured on a large scale in the United States. It is used as an antifreeze and coolant, in hydraulic fluids, and in the manufacture of low-freezing dynamites and resins.. ethanediol : Any diol that is ethane or substituted ethane carrying two hydroxy groups.. ethylene glycol : A 1,2-glycol compound produced via reaction of ethylene oxide with water. | 1.95 | 1 | 0 | ethanediol;
glycol | metabolite;
mouse metabolite;
solvent;
toxin |
acetic acid
Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed). acetic acid : A simple monocarboxylic acid containing two carbons. | 7.39 | 2 | 0 | monocarboxylic acid | antimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent |
acetamide
acetimidic acid : A carboximidic acid that is acetic acid in which the carbonyl oxygen is replaced by an imino group. | 1.95 | 1 | 0 | acetamides;
carboximidic acid;
monocarboxylic acid amide;
N-acylammonia | |
acetone
methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H). | 1.95 | 1 | 0 | ketone body;
methyl ketone;
propanones;
volatile organic compound | EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent |
benzaldehyde
[no description available] | 1.95 | 1 | 0 | benzaldehydes | EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
EC 3.5.5.1 (nitrilase) inhibitor;
flavouring agent;
fragrance;
odorant receptor agonist;
plant metabolite |
benzene
[no description available] | 1.95 | 1 | 0 | aromatic annulene;
benzenes;
volatile organic compound | carcinogenic agent;
environmental contaminant;
non-polar solvent |
benzoic acid
Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.. aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring. | 1.95 | 1 | 0 | benzoic acids | algal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
benzyl alcohol
Benzyl Alcohol: A colorless liquid with a sharp burning taste and slight odor. It is used as a local anesthetic and to reduce pain associated with LIDOCAINE injection. Also, it is used in the manufacture of other benzyl compounds, as a pharmaceutic aid, and in perfumery and flavoring.. hydroxytoluene : Any member of the class of toluenes carrying one or more hydroxy substituents.. benzyl alcohol : An aromatic alcohol that consists of benzene bearing a single hydroxymethyl substituent.. aromatic alcohol : Any alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring.. aromatic primary alcohol : Any primary alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring. | 1.95 | 1 | 0 | benzyl alcohols | antioxidant;
fragrance;
metabolite;
solvent |
2,3-butylene glycol
2,3-butylene glycol: RN given refers to cpd without isomeric designation. butane-2,3-diol : A butanediol in which hydroxylation is at C-2 and C-3. | 1.95 | 1 | 0 | butanediol;
glycol;
secondary alcohol | |
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. | 1.95 | 1 | 0 | alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol | human metabolite;
mouse metabolite;
protic solvent |
butyric acid
Butyric Acid: A four carbon acid, CH3CH2CH2COOH, with an unpleasant odor that occurs in butter and animal fat as the glycerol ester.. butyrate : A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group.. butyric acid : A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group. | 1.95 | 1 | 0 | fatty acid 4:0;
straight-chain saturated fatty acid | human urinary metabolite;
Mycoplasma genitalium metabolite |
chlorine
chloride : A halide anion formed when chlorine picks up an electron to form an an anion. | 2.03 | 1 | 0 | halide anion;
monoatomic chlorine | cofactor;
Escherichia coli metabolite;
human metabolite |
coumarin
2H-chromen-2-one: coumarin derivative | 2.36 | 2 | 0 | coumarins | fluorescent dye;
human metabolite;
plant metabolite |
3-cresol
3-cresol: RN given refers to parent cpd. m-cresol : A cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene. | 1.95 | 1 | 0 | cresol | human xenobiotic metabolite |
lactic acid
Lactic Acid: A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed). 2-hydroxypropanoic acid : A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group. | 2.72 | 3 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite;
Daphnia magna metabolite |
dihydrouracil
hexahydropyrimidine-2,4-dione: structure in first source. 5,6-dihydrouracil : A pyrimidine obtained by formal addition of hydrogen across the 5,6-position of uracil. | 1.99 | 1 | 0 | pyrimidone | Escherichia coli metabolite;
human metabolite;
metabolite;
mouse 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. | 2.31 | 1 | 0 | sulfoxide;
volatile organic compound | alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger |
glycine
[no description available] | 2.39 | 2 | 0 | alpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical |
hydroxylamine
amino alcohol : An alcohol containing an amino functional group in addition to the alcohol-defining hydroxy group. | 7.41 | 2 | 0 | hydroxylamines | algal metabolite;
bacterial xenobiotic metabolite;
EC 1.1.3.13 (alcohol oxidase) inhibitor;
EC 4.2.1.22 (cystathionine beta-synthase) inhibitor;
EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor;
nitric oxide donor;
nucleophilic reagent |
iodine
Iodine: A nonmetallic element of the halogen group that is represented by the atomic symbol I, atomic number 53, and atomic weight of 126.90. It is a nutritionally essential element, especially important in thyroid hormone synthesis. In solution, it has anti-infective properties and is used topically.. diiodine : Molecule comprising two covalently bonded iodine atoms with overall zero charge.. | 1.96 | 1 | 0 | diatomic iodine | nutrient |
thioctic acid
Thioctic Acid: An octanoic acid bridged with two sulfurs so that it is sometimes also called a pentanoic acid in some naming schemes. It is biosynthesized by cleavage of LINOLEIC ACID and is a coenzyme of oxoglutarate dehydrogenase (KETOGLUTARATE DEHYDROGENASE COMPLEX). It is used in DIETARY SUPPLEMENTS. | 2.21 | 1 | 0 | dithiolanes;
heterocyclic fatty acid;
thia fatty acid | fundamental metabolite;
geroprotector |
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. | 7.36 | 2 | 0 | alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound | amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite |
acetanilide
acetanilide: a phenylacetamide; use ACETANILIDES for the plural group meaning of the singular term. N-phenylacetamide : A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen is substituted by a phenyl group. | 1.95 | 1 | 0 | acetamides;
anilide | analgesic |
n,n-dimethylaniline
N,N-dimethylaniline: RN given refers to parent cpd; structure. dimethylaniline : A methylaniline carrying at least two methyl groups.. N,N-dimethylaniline : A tertiary amine that is aniline in which the amino hydrogens are replaced by two methyl groups. | 1.95 | 1 | 0 | dimethylaniline;
tertiary amine | |
phenol
[no description available] | 1.95 | 1 | 0 | phenols | antiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite |
phenylacetic acid
phenylacetic acid : A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group. | 1.95 | 1 | 0 | benzenes;
monocarboxylic acid;
phenylacetic acids | allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin |
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. | 1.93 | 1 | 0 | benzenedicarboxylic acid | human xenobiotic metabolite |
propylene glycol
Propylene Glycol: A clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations.. propane-1,2-diol : The simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (-59degreeC) and high-boiling (188degreeC) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze. | 1.95 | 1 | 0 | glycol;
propane-1,2-diols | allergen;
human xenobiotic metabolite;
mouse metabolite;
protic solvent |
1-propanol
1-Propanol: A colorless liquid made by oxidation of aliphatic hydrocarbons that is used as a solvent and chemical intermediate.. propan-1-ol : The parent member of the class of propan-1-ols that is propane in which a hydrogen of one of the methyl groups is replaced by a hydroxy group. | 1.95 | 1 | 0 | propan-1-ols;
short-chain primary fatty alcohol | metabolite;
protic solvent |
propionic acid
propionic acid : A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group. | 1.95 | 1 | 0 | saturated fatty acid;
short-chain fatty acid | antifungal drug |
succinic acid
Succinic Acid: A water-soluble, colorless crystal with an acid taste that is used as a chemical intermediate, in medicine, the manufacture of lacquers, and to make perfume esters. It is also used in foods as a sequestrant, buffer, and a neutralizing agent. (Hawley's Condensed Chemical Dictionary, 12th ed, p1099; McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed, p1851). succinic acid : An alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle. | 2.34 | 2 | 0 | alpha,omega-dicarboxylic acid;
C4-dicarboxylic acid | anti-ulcer drug;
fundamental metabolite;
micronutrient;
nutraceutical;
radiation protective agent |
toluene
methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups. | 1.95 | 1 | 0 | methylbenzene;
toluenes;
volatile organic compound | cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent |
uracil
2,4-dihydroxypyrimidine: a urinary biomarker for bipolar disorder | 2.46 | 2 | 0 | pyrimidine nucleobase;
pyrimidone | allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite |
urea
pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives. | 7.06 | 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 |
phenytoin
[no description available] | 2 | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent |
antipyrine
Antipyrine: An analgesic and antipyretic that has been given by mouth and as ear drops. Antipyrine is often used in testing the effects of other drugs or diseases on drug-metabolizing enzymes in the liver. (From Martindale, The Extra Pharmacopoeia, 30th ed, p29). antipyrine : A pyrazolone derivative that is 1,2-dihydropyrazol-3-one substituted with methyl groups at N-1 and C-5 and with a phenyl group at N-2. | 1.95 | 1 | 0 | pyrazolone | antipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
benzamide
benzamide : An aromatic amide that consists of benzene bearing a single carboxamido substituent. The parent of the class of benzamides. | 1.95 | 1 | 0 | benzamides | |
caffeine
[no description available] | 1.95 | 1 | 0 | purine alkaloid;
trimethylxanthine | adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic |
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. | 2.37 | 2 | 0 | organochlorine compound;
phenothiazines;
tertiary amine | anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug |
clofibrate
angiokapsul: contains clofibrate & insoitolnicotinate | 1.96 | 1 | 0 | aromatic ether;
ethyl ester;
monochlorobenzenes | anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist |
4-cresol
4-cresol: RN given refers to parent cpd. p-cresol : A cresol that consists of toluene substituted by a hydroxy group at position 4. It is a metabolite of aromatic amino acid metabolism produced by intestinal microflora in humans and animals. | 1.95 | 1 | 0 | cresol | Escherichia coli metabolite;
human metabolite;
uremic toxin |
cystamine
[no description available] | 2 | 1 | 0 | organic disulfide;
primary amino compound | EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor |
diethyl pyrocarbonate
Diethyl Pyrocarbonate: Preservative for wines, soft drinks, and fruit juices and a gentle esterifying agent.. diethyl pyrocarbonate : The diethyl ester of dicarbonic acid. | 1.98 | 1 | 0 | acyclic carboxylic anhydride | |
erythrosine
Fluoresceins: A family of spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one derivatives. These are used as dyes, as indicators for various metals, and as fluorescent labels in immunoassays. | 2.08 | 1 | 0 | | |
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. | 1.95 | 1 | 0 | ether;
volatile organic compound | inhalation anaesthetic;
non-polar solvent;
refrigerant |
ethosuximide
Ethosuximide: An anticonvulsant especially useful in the treatment of absence seizures unaccompanied by other types of seizures.. ethosuximide : A dicarboximide that is pyrrolidine-2,5-dione in which the hydrogens at position 3 are substituted by one methyl and one ethyl group. An antiepileptic, it is used in the treatment of absence seizures and may be used for myoclonic seizures, but is ineffective against tonic-clonic seizures. | 2.64 | 3 | 0 | dicarboximide;
pyrrolidinone | anticonvulsant;
geroprotector;
T-type calcium channel blocker |
guanidine
Guanidine: A strong organic base existing primarily as guanidium ions at physiological pH. It is found in the urine as a normal product of protein metabolism. It is also used in laboratory research as a protein denaturant. (From Martindale, the Extra Pharmacopoeia, 30th ed and Merck Index, 12th ed) It is also used in the treatment of myasthenia and as a fluorescent probe in HPLC.. guanidine : An aminocarboxamidine, the parent compound of the guanidines. | 1.98 | 1 | 0 | carboxamidine;
guanidines;
one-carbon compound | |
iodoacetamide
[no description available] | 2.08 | 1 | 0 | | |
isoflurane
Isoflurane: A stable, non-explosive inhalation anesthetic, relatively free from significant side effects. | 2 | 1 | 0 | organofluorine compound | inhalation anaesthetic |
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. | 1.95 | 1 | 0 | polyazaalkane;
polycyclic cage;
tetramine | antibacterial drug |
ethylmaleimide
Ethylmaleimide: A sulfhydryl reagent that is widely used in experimental biochemical studies. | 2.38 | 2 | 0 | maleimides | anticoronaviral agent;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.1.1 (hexokinase) inhibitor |
4-chlorophenol
4-chlorophenol: used as a root canal irrigant. 4-chlorophenol : A monochlorophenol substituted at the pare position by a chlorine atom. | 1.95 | 1 | 0 | monochlorophenol | |
potassium iodide
Potassium Iodide: An inorganic compound that is used as a source of iodine in thyrotoxic crisis and in the preparation of thyrotoxic patients for thyroidectomy. (From Dorland, 27th ed). potassium iodide : A metal iodide salt with a K(+) counterion. It is a scavenger of hydroxyl radicals. | 7.66 | 3 | 0 | potassium salt | expectorant;
radical scavenger |
propoxur
Propoxur: A carbamate insecticide.. propoxur : A carbamate ester that is phenyl methylcarbamate substituted at position 2 by a propan-2-yloxy group. | 1.95 | 1 | 0 | aromatic ether;
carbamate ester | acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
rolipram
[no description available] | 2.31 | 1 | 0 | pyrrolidin-2-ones | antidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
saccharin
Saccharin: Flavoring agent and non-nutritive sweetener.. saccharin : A 1,2-benzisothiazole having a keto-group at the 3-position and two oxo substituents at the 1-position. It is used as an artificial sweetening agent. | 8.1 | 1 | 0 | 1,2-benzisothiazole;
N-sulfonylcarboxamide | environmental contaminant;
sweetening agent;
xenobiotic |
sodium iodide
Sodium Iodide: A compound forming white, odorless deliquescent crystals and used as iodine supplement, expectorant or in its radioactive (I-131) form as an diagnostic aid, particularly for thyroid function tests.. sodium iodide : A metal iodide salt with a Na(+) counterion. | 3.47 | 2 | 0 | inorganic sodium salt;
iodide salt | |
sulfanilamide
[no description available] | 1.95 | 1 | 0 | substituted aniline;
sulfonamide antibiotic;
sulfonamide | antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
thalidomide
Thalidomide: A piperidinyl isoindole originally introduced as a non-barbiturate hypnotic, but withdrawn from the market due to teratogenic effects. It has been reintroduced and used for a number of immunological and inflammatory disorders. Thalidomide displays immunosuppressive and anti-angiogenic activity. It inhibits release of TUMOR NECROSIS FACTOR-ALPHA from monocytes, and modulates other cytokine action.. thalidomide : A racemate comprising equimolar amounts of R- and S-thalidomide.. 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione : A dicarboximide that is isoindole-1,3(2H)-dione in which the hydrogen attached to the nitrogen is substituted by a 2,6-dioxopiperidin-3-yl group. | 2.89 | 3 | 0 | phthalimides;
piperidones | |
2,4-thiazolidinedione
thiazolidine-2,4-dione: structure in first source. 1,3-thiazolidine-2,4-dione : A thiazolidenedione carrying oxo substituents at positions 2 and 4. | 2.36 | 2 | 0 | thiazolidenedione | |
triacetin
Triacetin: A triglyceride that is used as an antifungal agent.. triacetin : A triglyceride obtained by acetylation of the three hydroxy groups of glycerol. It has fungistatic properties (based on release of acetic acid) and has been used in the topical treatment of minor dermatophyte infections. | 1.95 | 1 | 0 | triglyceride | adjuvant;
antifungal drug;
food additive carrier;
food emulsifier;
food humectant;
fuel additive;
plant metabolite;
solvent |
urethane
[no description available] | 1.95 | 1 | 0 | carbamate ester | fungal metabolite;
mutagen |
pentylenetetrazole
Pentylenetetrazole: A pharmaceutical agent that displays activity as a central nervous system and respiratory stimulant. It is considered a non-competitive GAMMA-AMINOBUTYRIC ACID antagonist. Pentylenetetrazole has been used experimentally to study seizure phenomenon and to identify pharmaceuticals that may control seizure susceptibility.. pentetrazol : An organic heterobicyclic compound that is 1H-tetrazole in which the hydrogens at positions 1 and 5 are replaced by a pentane-1,5-diyl group. A central and respiratory stimulant, it was formerly used for the treatment of cough and other respiratory tract disorders, cardiovascular disorders including hypotension, and pruritis. | 2.05 | 1 | 0 | organic heterobicyclic compound;
organonitrogen heterocyclic compound | |
carbon tetrachloride
Carbon Tetrachloride: A solvent for oils, fats, lacquers, varnishes, rubber waxes, and resins, and a starting material in the manufacturing of organic compounds. Poisoning by inhalation, ingestion or skin absorption is possible and may be fatal. (Merck Index, 11th ed). tetrachloromethane : A chlorocarbon that is methane in which all the hydrogens have been replaced by chloro groups. | 2.07 | 1 | 0 | chlorocarbon;
chloromethanes | hepatotoxic agent;
refrigerant |
aspartic acid
Aspartic Acid: One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.. aspartic acid : An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent. L-aspartic acid : The L-enantiomer of aspartic acid. | 5.8 | 28 | 0 | aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
mouse metabolite;
neurotransmitter |
glutamine
Glutamine: A non-essential amino acid present abundantly throughout the body and is involved in many metabolic processes. It is synthesized from GLUTAMIC ACID and AMMONIA. It is the principal carrier of NITROGEN in the body and is an important energy source for many cells.. L-glutamine : An optically active form of glutamine having L-configuration.. glutamine : An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4. | 3.31 | 1 | 0 | amino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
lysine
Lysine: An essential amino acid. It is often added to animal feed.. lysine : A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6.. L-lysine : An L-alpha-amino acid; the L-isomer of lysine. | 4.54 | 6 | 0 | aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid | algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
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. | 1.95 | 1 | 0 | pyrazolone;
tertiary amino compound | antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
uridine
[no description available] | 2.31 | 1 | 0 | uridines | drug metabolite;
fundamental metabolite;
human metabolite |
uridine monophosphate
Uridine Monophosphate: 5'-Uridylic acid. A uracil nucleotide containing one phosphate group esterified to the sugar moiety in the 2', 3' or 5' position.. uridine 5'-monophosphate : A pyrimidine ribonucleoside 5'-monophosphate having uracil as the nucleobase. | 2.31 | 1 | 0 | pyrimidine ribonucleoside 5'-monophosphate;
uridine 5'-phosphate | Escherichia coli metabolite;
human metabolite;
mouse metabolite |
galactose
galactopyranose : The pyranose form of galactose. | 2.06 | 1 | 0 | D-galactose;
galactopyranose | Escherichia coli metabolite;
mouse metabolite |
tyrosine
Tyrosine: A non-essential amino acid. In animals it is synthesized from PHENYLALANINE. It is also the precursor of EPINEPHRINE; THYROID HORMONES; and melanin.. tyrosine : An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring. | 3.05 | 1 | 0 | amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
tyrosine | EC 1.3.1.43 (arogenate dehydrogenase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical |
aniline
[no description available] | 1.95 | 1 | 0 | anilines;
primary arylamine | |
dimethyl sulfone
[no description available] | 2.13 | 1 | 0 | sulfone | |
asparagine
Asparagine: A non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. It is biosynthesized from ASPARTIC ACID and AMMONIA by asparagine synthetase. (From Concise Encyclopedia Biochemistry and Molecular Biology, 3rd ed). asparagine : An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 2-amino-2-oxoethyl group. | 5.58 | 13 | 0 | amino acid zwitterion;
asparagine;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
4-toluenesulfonamide
4-toluenesulfonamide: RN given refers to parent cpd. toluene-4-sulfonamide : A sulfonamide that is benzenesulfonamide bearing a methyl group at position 4. | 1.95 | 1 | 0 | sulfonamide | |
histidine
Histidine: An essential amino acid that is required for the production of HISTAMINE.. L-histidine : The L-enantiomer of the amino acid histidine.. histidine : An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3. | 2.69 | 3 | 0 | amino acid zwitterion;
histidine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid | algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
n-pentanol
n-pentanol: RN given refers to parent cpd. pentan-1-ol : A short-chain primary fatty alcohol that is pentane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Melicope ptelefolia. | 1.95 | 1 | 0 | pentanol;
short-chain primary fatty alcohol | human metabolite;
plant metabolite |
tryptophan
Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.. tryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3. | 9.18 | 5 | 0 | erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan | antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
cyclopropane
cyclopropane : A cycloalkane composed of three carbon atoms to form a ring. | 2.06 | 1 | 0 | cycloalkane;
cyclopropanes | inhalation anaesthetic |
3-mercaptopropionic acid
3-Mercaptopropionic Acid: An inhibitor of glutamate decarboxylase. It decreases the GAMMA-AMINOBUTYRIC ACID concentration in the brain, thereby causing convulsions.. 3-mercaptopropanoic acid : A mercaptopropanoic acid that is propanoic acid carrying a sulfanyl group at position 3. | 2.07 | 1 | 0 | mercaptopropanoic acid | algal metabolite |
propionamide
[no description available] | 1.95 | 1 | 0 | monocarboxylic acid amide;
primary fatty amide | |
acrylamide
[no description available] | 4.18 | 5 | 0 | acrylamides;
N-acylammonia;
primary carboxamide | alkylating agent;
carcinogenic agent;
Maillard reaction product;
mutagen;
neurotoxin |
acrylic acid
acrylic acid: RN given refers to parent cpd. acrylic acid : A alpha,beta-unsaturated monocarboxylic acid that is ethene substituted by a carboxy group. | 2.01 | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid | metabolite |
rhodamine b
rhodamine B: RN & N1 from 9th CI Form Index; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7973; TETRAETHYLRHODAMINE was see RHODAMINES 1975-93; use RHODAMINES to search TETRAETHYLRHODAMINE 1975-93. rhodamine B : An organic chloride salt having N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium as the counterion. An amphoteric dye commonly used as a fluorochrome. | 2.21 | 1 | 0 | organic chloride salt;
xanthene dye | fluorescent probe;
fluorochrome;
histological dye |
phthalimide
phthalimide: RN given refers to parent cpd. phthalimide : A dicarboximide that is 2,3-dihydro-1H-isoindole substituted by oxo groups at positions 1 and 3. | 7.35 | 2 | 0 | phthalimides | |
phensuximide
phensuximide: major descriptor (73-84); on-line search SUCCINIMIDES (73-84); Index Medicus search PHENSUXIMIDE (73-84); RN given refers to cpd without isomeric designation | 1.93 | 1 | 0 | pyrrolidines | |
benzenesulfonamide
[no description available] | 1.95 | 1 | 0 | sulfonamide | |
3-trifluoromethylphenol
3-trifluoromethylphenol: structure in first source | 1.95 | 1 | 0 | (trifluoromethyl)benzenes | |
pyrrolidonecarboxylic acid
Pyrrolidonecarboxylic Acid: A cyclized derivative of L-GLUTAMIC ACID. Elevated blood levels may be associated with problems of GLUTAMINE or GLUTATHIONE metabolism.. 5-oxo-L-proline : An optically active form of 5-oxoproline having L-configuration. | 2.08 | 1 | 0 | 5-oxoproline;
L-proline derivative;
non-proteinogenic L-alpha-amino acid | algal metabolite |
acetophenone
acetophenone : A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group. | 1.95 | 1 | 0 | acetophenones | animal metabolite;
photosensitizing agent;
xenobiotic |
nitrobenzene
nitrobenzene : A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline. | 1.95 | 1 | 0 | nitroarene;
nitrobenzenes | |
ethylbenzene
[no description available] | 1.95 | 1 | 0 | alkylbenzene | |
benzylamine
aminotoluene : Any member of the class of toluenes carrying one or more amino groups. | 1.95 | 1 | 0 | aralkylamine;
primary amine | allergen;
EC 3.5.5.1 (nitrilase) inhibitor;
plant metabolite |
benzonitrile
benzonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group. | 1.95 | 1 | 0 | benzenes;
nitrile | |
anisole
anisole : A monomethoxybenzene that is benzene substituted by a methoxy group. | 1.95 | 1 | 0 | monomethoxybenzene | plant metabolite |
phenetole
phenetole : An aromatic ether in which the ether oxygen is bonded to an ethyl and a phenyl group. | 1.95 | 1 | 0 | aromatic ether | |
n-benzyl-n,n-dimethylamine
[no description available] | 1.95 | 1 | 0 | | |
4-bromophenol
4-bromophenol : A bromophenol containing only hydroxy and bromo substituents that are para to one another. | 1.95 | 1 | 0 | bromophenol | human urinary metabolite;
human xenobiotic metabolite;
marine metabolite;
mouse metabolite;
persistent organic pollutant;
rat metabolite |
maleic anhydride
Maleic Anhydrides: Used in copolymerization reactions, in the Diels-Alder(diene)synthesis, in the preparation of resins, pharmaceuticals and agricultural chemicals. It is a powerful irritant and causes burns.. maleic anhydride : A cyclic dicarboxylic anhydride that is the cyclic anhydride of maleic acid. | 2.44 | 2 | 0 | cyclic dicarboxylic anhydride;
furans | allergen |
3-chlorophenol
3-chlorophenol : A monochlorophenol carrying the chloro substituent at position 3. | 1.95 | 1 | 0 | monochlorophenol | |
bromobenzene
[no description available] | 1.95 | 1 | 0 | bromoarene;
bromobenzenes;
volatile organic compound | hepatotoxic agent;
mouse metabolite;
non-polar solvent |
chlorobenzene
[no description available] | 1.95 | 1 | 0 | monochlorobenzenes | solvent |
n-pentanoic acid
n-pentanoic acid: RN given refers to unlabeled parent cpd. valeric acid : A straight-chain saturated fatty acid containing five carbon atoms. | 1.95 | 1 | 0 | short-chain fatty acid;
straight-chain saturated fatty acid | plant metabolite |
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. | 2.02 | 1 | 0 | pyrrole;
secondary amine | |
thiophenes
Thiophenes: A monocyclic heteroarene furan in which the oxygen atom is replaced by a sulfur.. thiophenes : Compounds containing at least one thiophene ring. | 2.31 | 1 | 0 | mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound | non-polar solvent |
1,4-butanediol
butane-1,4-diol : A butanediol that is butane in which one hydrogen of each of the methyl groups is substituted by a hydroxy group. A colourless, water-miscible, viscous liquid at room temperature (m.p. 16degreeC) with a high boiling point (230degreeC), it is mainly used for the production of other organic chemicals, particularly the solvent oxolane (also known as tetrahydrofuran or THF). | 1.95 | 1 | 0 | butanediol;
glycol | neurotoxin;
prodrug;
protic solvent |
1-hexanol
1-hexanol: RN given refers to parent cpd. hexanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of six carbon atoms.. hexan-1-ol : A primary alcohol that is hexane substituted by a hydroxy group at position 1. | 1.95 | 1 | 0 | hexanol;
primary alcohol | alarm pheromone;
antibacterial agent;
fragrance;
plant metabolite |
1,5-pentanediol
[no description available] | 1.95 | 1 | 0 | primary alcohol | |
2,2,2-trichloroethanol
[no description available] | 3.05 | 1 | 0 | chloroethanol | mouse metabolite |
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. | 2.06 | 1 | 0 | naphthol | antinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger |
ethyl acetate
ethyl acetate : The acetate ester formed between acetic acid and ethanol. | 1.95 | 1 | 0 | acetate ester;
ethyl ester;
volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite |
hexanoic acid
hexanoic acid : A C6, straight-chain saturated fatty acid. | 1.95 | 1 | 0 | medium-chain fatty acid;
straight-chain saturated fatty acid | human metabolite;
plant metabolite |
3-hydroxyanisole
3-hydroxyanisole: structure in first source. 3-methoxyphenol : A member of the class of phenols that is phenol having a methoxy-substituent at the 3-position. | 1.95 | 1 | 0 | monomethoxybenzene;
phenols | |
mequinol
mequinol: depigmenting agent; RN given refers to parent cpd | 1.95 | 1 | 0 | methoxybenzenes;
phenols | metabolite |
oxazoles
Oxazoles: Five-membered heterocyclic ring structures containing an oxygen in the 1-position and a nitrogen in the 3-position, in distinction from ISOXAZOLES where they are at the 1,2 positions.. 1,3-oxazole : A five-membered monocyclic heteroarene that is an analogue of cyclopentadiene with O in place of CH2 at position 1 and N in place of CH at position 3.. oxazole : An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom. | 2.05 | 1 | 0 | 1,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
thiazoles
[no description available] | 1.93 | 1 | 0 | 1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
pyrazines
Pyrazines: A heterocyclic aromatic organic compound with the chemical formula C4H4N2.. pyrazine : A diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms. | 2 | 1 | 0 | diazine;
pyrazines | Daphnia magna metabolite |
hydrazine
diamine : Any polyamine that contains two amino groups. | 7.1 | 1 | 0 | azane;
hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
4-fluorophenol
4-fluorophenol: structure given in first source. 4-fluorophenol : A fluorophenol that is phenol in which the hydrogen para- to the hydroxy group has been replaced by a fluorine. | 1.95 | 1 | 0 | fluorophenol;
monofluorobenzenes | |
3-fluorophenol
3-fluorophenol: structure in first source | 1.95 | 1 | 0 | | |
hydantoins
Hydantoins: Compounds based on imidazolidine dione. Some derivatives are ANTICONVULSANTS.. imidazolidine-2,4-dione : An imidazolidinone with oxo groups at position 2 and 4. | 7.96 | 4 | 0 | imidazolidine-2,4-dione | |
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. | 1.95 | 1 | 0 | monofluorobenzenes | NMR chemical shift reference compound |
4-iodophenol
[no description available] | 1.95 | 1 | 0 | iodophenol | |
butyramide
butanamide : A monocarboxylic acid amide obtained by formal condensation of butanoic acid and ammonia. | 1.95 | 1 | 0 | butanamides;
primary fatty amide | |
isovaleramide
isovaleramide: inhibits liver alcohol dehydrogenases | 1.95 | 1 | 0 | | |
maleimide
[no description available] | 8.68 | 9 | 0 | dicarboximide;
maleimides | EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
eosine yellowish-(ys)
Eosine Yellowish-(YS): A versatile red dye used in cosmetics, pharmaceuticals, textiles, etc., and as tissue stain, vital stain, and counterstain with HEMATOXYLIN. It is also used in special culture media.. eosin YS dye : An organic sodium salt that is 2',4',5',7'-tetrabromofluorescein in which the carboxy group and the phenolic hydroxy group have been deprotonated and the resulting charge is neutralised by two sodium ions. | 1.98 | 1 | 0 | organic sodium salt;
organobromine compound | fluorochrome;
histological dye |
3-nitrophenol
[no description available] | 1.95 | 1 | 0 | 3-nitrophenols | |
glycylglycine
[no description available] | 2.06 | 1 | 0 | dipeptide zwitterion;
dipeptide | human 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. | 2.21 | 1 | 0 | organic chloride salt | antibacterial agent;
antifungal drug;
carcinogenic agent;
environmental contaminant;
fluorochrome;
histological dye;
teratogenic agent |
3-bromophenol
[no description available] | 1.95 | 1 | 0 | | |
methyl carbamate
methyl carbamate : A carbamate ester resulting from the formal condensation of the carboxy group of carbamic acid with methanol. | 1.95 | 1 | 0 | carbamate ester | |
n,n-dimethylbenzamide
[no description available] | 1.95 | 1 | 0 | | |
1-methyluracil
1-methyluracil: RN given refers to parent cpd; structure. 1-methyluracil : A pyrimidone that is uracil with a methyl group substituent at position 1. | 2.31 | 1 | 0 | nucleobase analogue;
pyrimidone | metabolite |
2-pyrrolidone
2-pyrrolidone: RN given refers to parent cpd. pyrrolidin-2-one : The simplest member of the class of pyrrolidin-2-ones, consisting of pyrrolidine in which the hydrogens at position 2 are replaced by an oxo group. The lactam arising by the formal intramolecular condensation of the amino and carboxy groups of gamma-aminobutyric acid (GABA). | 1.96 | 1 | 0 | pyrrolidin-2-ones | metabolite;
polar solvent |
acetylcysteine
N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine. | 1.98 | 1 | 0 | acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid | antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary |
hexamethylene glycol
hexane-1,6-diol : A diol that is hexane substituted by hydroxy groups at positions 1 and 6. | 1.95 | 1 | 0 | diol;
primary alcohol | |
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. | 2.21 | 1 | 0 | | |
2-piperidone
2-piperidone: structure given in first source. piperidin-2-one : A delta-lactam that is piperidine which is substituted by an oxo group at position 2. | 2.37 | 2 | 0 | delta-lactam;
piperidones | EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor |
2,2-dichloroacetamide
[no description available] | 3.05 | 1 | 0 | | |
1-phenylazo-2-naphthol
1-phenylazo-2-naphthol: RN given refers to cpd without isomeric designation | 2.06 | 1 | 0 | | |
deoxyuridine
[no description available] | 2 | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
metolcarb
metolcarb: pesticide; structure in first source | 1.95 | 1 | 0 | carbamate ester | acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
4-hydroxyphenoxyacetic acid
[no description available] | 1.95 | 1 | 0 | monocarboxylic acid | |
ethyldimethylaminopropyl carbodiimide
Ethyldimethylaminopropyl Carbodiimide: Carbodiimide cross-linking reagent. | 2.46 | 2 | 0 | | |
sulfur hexafluoride
Sulfur Hexafluoride: Sulfur hexafluoride. An inert gas used mainly as a test gas in respiratory physiology. Other uses include its injection in vitreoretinal surgery to restore the vitreous chamber and as a tracer in monitoring the dispersion and deposition of air pollutants.. sulfur hexafluoride : A sulfur coordination entity consisting of six fluorine atoms attached to a central sulfur atom. It is the most potent greenhouse gas currently known, with a global warming potential of 23,900 times that of CO2 over a 100 year period (SF6 has an estimated lifetime in the atmosphere of between 800 and 3,000 years). | 2.17 | 1 | 0 | sulfur coordination entity | greenhouse gas;
NMR chemical shift reference compound;
ultrasound contrast agent |
phenoxyacetic acid
phenoxyacetic acid : A monocarboxylic acid that is the O-phenyl derivative of glycolic acid. A metabolite of 2-phenoxyethanol, it is used in the manufacture of pharmaceuticals, pesticides, fungicides and dyes. | 1.95 | 1 | 0 | aromatic ether;
monocarboxylic acid | allergen;
Aspergillus metabolite;
human xenobiotic metabolite;
plant growth retardant |
n-methylaspartate
N-Methylaspartate: An amino acid that, as the D-isomer, is the defining agonist for the NMDA receptor subtype of glutamate receptors (RECEPTORS, NMDA).. N-methyl-D-aspartic acid : An aspartic acid derivative having an N-methyl substituent and D-configuration. | 2.03 | 1 | 0 | amino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound | neurotransmitter agent |
iridium
Iridium: A metallic element with the atomic symbol Ir, atomic number 77, and atomic weight 192.22. | 2.25 | 1 | 0 | cobalt group element atom;
platinum group metal atom | |
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. | 6.93 | 1 | 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. | 7.44 | 2 | 0 | metal allergen;
nickel group element atom;
platinum group metal atom | |
platinum
Platinum: A heavy, soft, whitish metal, resembling tin, with atomic number 78, atomic weight 195.084, symbol Pt. It is used in manufacturing equipment for laboratory and industrial use. It occurs as a black powder (platinum black) and as a spongy substance (spongy platinum) and may have been known in Pliny's time as alutiae. | 2.25 | 1 | 0 | elemental platinum;
nickel group element atom;
platinum group metal atom | |
rhodium
Rhodium: A hard and rare metal of the platinum group, atomic number 45, atomic weight 102.905, symbol Rh.. rhodium atom : A cobalt group element atom of atomic number 45. | 2.13 | 1 | 0 | cobalt group element atom | |
gold
Gold: A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts. | 3.04 | 4 | 0 | copper group element atom;
elemental gold | |
acetylglucosamine
Acetylglucosamine: The N-acetyl derivative of glucosamine.. N-acetyl-beta-D-glucosamine : An N-acetyl-D-glucosamine having beta-configuration at the anomeric centre. | 2.05 | 1 | 0 | N-acetyl-D-glucosamine | epitope |
cesium chloride
cesium chloride: RN given refers to unlabeled cpd. caesium chloride : The inorganic chloride salt of caesium; each caesium ion is coordinated by eight chlorine ions. | 2.03 | 1 | 0 | inorganic caesium salt;
inorganic chloride | phase-transfer catalyst;
vasoconstrictor agent |
fluorine
Fluorine: A nonmetallic, diatomic gas that is a trace element and member of the halogen family. It is used in dentistry as fluoride (FLUORIDES) to prevent dental caries. | 2 | 1 | 0 | diatomic fluorine;
gas molecular entity | NMR chemical shift reference compound |
chlorine
Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family. | 6.94 | 1 | 0 | diatomic chlorine;
gas molecular entity | bleaching agent |
ozone
Ozone: The unstable triatomic form of oxygen, O3. It is a powerful oxidant that is produced for various chemical and industrial uses. Its production is also catalyzed in the ATMOSPHERE by ULTRAVIOLET RAY irradiation of oxygen or other ozone precursors such as VOLATILE ORGANIC COMPOUNDS and NITROGEN OXIDES. About 90% of the ozone in the atmosphere exists in the stratosphere (STRATOSPHERIC OZONE).. ozone : An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs. | 2.03 | 1 | 0 | elemental molecule;
gas molecular entity;
reactive oxygen species;
triatomic oxygen | antiseptic drug;
disinfectant;
electrophilic reagent;
greenhouse gas;
mutagen;
oxidising agent;
tracer |
fluorides
[no description available] | 2.17 | 1 | 0 | halide anion;
monoatomic fluorine | |
iodine
[no description available] | 1.93 | 1 | 0 | halide anion;
monoatomic iodine | human metabolite |
paraldehyde
Paraldehyde: A hypnotic and sedative with anticonvulsant effects. However, because of the hazards associated with its administration, its tendency to react with plastic, and the risks associated with its deterioration, it has largely been superseded by other agents. It is still occasionally used to control status epilepticus resistant to conventional treatment. (From Martindale, The Extra Pharmacopoeia, 30th ed, p608-9). paraldehyde : A trioxane that is 1,3,5-trioxane substituted by methyl groups at positions 2, 4 and 6. | 1.95 | 1 | 0 | trioxane | sedative |
alkenes
[no description available] | 7.46 | 2 | 0 | | |
glutamic acid
Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.. glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2. | 2.21 | 1 | 0 | glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical |
azides
Azides: Organic or inorganic compounds that contain the -N3 group.. azide : Any nitrogen molecular entity containing the group -N3. | 2.07 | 1 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
substance p
[no description available] | 2.05 | 1 | 0 | peptide | neurokinin-1 receptor agonist;
neurotransmitter;
vasodilator agent |
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. | 2.06 | 1 | 0 | one-carbon compound;
perfluoroalkanesulfonic acid | |
adipic dihydrazide
[no description available] | 2.05 | 1 | 0 | | |
4-chlorobenzenesulfonamide
[no description available] | 1.95 | 1 | 0 | sulfonamide | |
bromosuccinimide
Bromosuccinimide: A brominating agent that replaces hydrogen atoms in benzylic or allylic positions. It is used in the oxidation of secondary alcohols to ketones and in controlled low-energy brominations. (From Miall's Dictionary of Chemistry, 5th ed; Hawley's Condensed Chemical Dictionary, 12th ed,). | 7.71 | 3 | 0 | dicarboximide;
organobromine compound;
pyrrolidinone | reagent |
5-methylhydantoin
5-methylhydantoin: RN given refers to cpd without isomeric designation | 1.99 | 1 | 0 | imidazolidine-2,4-dione | |
1-methylhydantoin
1-methylhydantoin: structure in first source | 2.31 | 1 | 0 | imidazolidine-2,4-dione | bacterial metabolite |
4-bromobenzenesulfonamide
4-bromobenzenesulfonamide: a metabolite of ebrotidine | 1.95 | 1 | 0 | | |
4-cyclopentene-1,3-dione
4-cyclopentene-1,3-dione: induces electrical excitability in crustacean muscle | 2.02 | 1 | 0 | | |
n-methylmaleimide
N-methylmaleimide: structure in first source | 2.02 | 1 | 0 | | |
glutarimide
[no description available] | 7.92 | 4 | 0 | dicarboximide;
piperidones | |
1-aminohydantoin
1-aminohydantoin: a metabolite of nitrofurantoin | 2.31 | 1 | 0 | imidazolidine-2,4-dione | |
n-benzylmaleimide
[no description available] | 2.02 | 1 | 0 | | |
cyclopropylcarbinol
cyclopropylcarbinol: potential anti-amoebic agent; inhibits alcohol dehydrogenase 2 from Entamoeba histolytica | 2.06 | 1 | 0 | | |
4-phenyl-1,2,4-triazoline-3,5-dione
4-phenyl-1,2,4-triazoline-3,5-dione: structure given in first source | 2.02 | 1 | 0 | | |
n-hydroxysuccinimide
N-hydroxysuccinimide: structure | 2.21 | 1 | 0 | | |
n-desmethylmethsuximide
[no description available] | 2 | 1 | 0 | | |
glucuronic acid
Glucuronic Acid: A sugar acid formed by the oxidation of the C-6 carbon of GLUCOSE. In addition to being a key intermediate metabolite of the uronic acid pathway, glucuronic acid also plays a role in the detoxification of certain drugs and toxins by conjugating with them to form GLUCURONIDES.. D-glucuronic acid : The D-enantiomer of glucuronic acid.. D-glucopyranuronic acid : A D-glucuronic acid in cyclic pyranose form. | 2.07 | 1 | 0 | D-glucuronic acid | algal metabolite |
arginyl-glycyl-aspartic acid
arginyl-glycyl-aspartic acid: amino acid sequence of basic unit of widespread cellular recognition system | 2.21 | 1 | 0 | oligopeptide | |
arginyl-glycyl-aspartyl-serine
arginyl-glycyl-aspartyl-serine: corresponds to cell attachment site of fibronectin; located near carboxyl-terminal region of alpha-chain of fibrinogen; inhibits platelet aggregation & fibrinogen binding to activated platelets | 2.03 | 1 | 0 | | |
n,n',n''-triacetylchitotriose
N,N',N''-triacetylchitotriose: used for affinity chromatography of potato lectin when coupled to Sepharose; structure | 1.99 | 1 | 0 | N-acyl-hexosamine | |
pomalidomide
3-aminophthalimidoglutarimide: structure in first source | 2.66 | 2 | 0 | aromatic amine;
dicarboximide;
isoindoles;
piperidones | angiogenesis inhibitor;
antineoplastic agent;
immunomodulator |
docetaxel anhydrous
Docetaxel: A semisynthetic analog of PACLITAXEL used in the treatment of locally advanced or metastatic BREAST NEOPLASMS and NON-SMALL CELL LUNG CANCER.. docetaxel anhydrous : A tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group. | 2.04 | 1 | 0 | secondary alpha-hydroxy ketone;
tetracyclic diterpenoid | antimalarial;
antineoplastic agent;
photosensitizing agent |
as 3201
ranirestat: an aldose reductase inhibitor; AS-3201 and SX-3202 are the (R-(-))- and (S-(+))-isomers, respectively; structure in first source | 2 | 1 | 0 | | |
carbodiimides
Carbodiimides: Compounds with the general formula RN=C=NR, where R is a hydrocarbyl group.. methanediimine : A carbodiimide in which both nitrogens are unsubstituted. | 2.73 | 3 | 0 | carbodiimide | |
methyl 2-pyridyl disulfide
methyl 2-pyridyl disulfide: structure given in first source | 2.08 | 1 | 0 | | |
5-hydroxy-2-pyrrolidone
5-hydroxypyrrolidin-2-one: from extracts of Hyptis verticillata; structure given in first source | 1.96 | 1 | 0 | | |
lenalidomide
[no description available] | 2.66 | 2 | 0 | aromatic amine;
dicarboximide;
isoindoles;
piperidones | angiogenesis inhibitor;
antineoplastic agent;
immunomodulator |
s-adenosylhomocysteine
S-Adenosylhomocysteine: 5'-S-(3-Amino-3-carboxypropyl)-5'-thioadenosine. Formed from S-adenosylmethionine after transmethylation reactions.. S-adenosyl-L-homocysteine : An organic sulfide that is the S-adenosyl derivative of L-homocysteine. | 2.03 | 1 | 0 | adenosines;
amino acid zwitterion;
homocysteine derivative;
homocysteines;
organic sulfide | cofactor;
EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor;
EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor;
epitope;
fundamental metabolite |
n-acetylneuraminic acid
N-Acetylneuraminic Acid: An N-acyl derivative of neuraminic acid. N-acetylneuraminic acid occurs in many polysaccharides, glycoproteins, and glycolipids in animals and bacteria. (From Dorland, 28th ed, p1518). N-acetylneuraminic acid : An N-acylneuraminic acid where the N-acyl group is specified as acetyl. | 1.96 | 1 | 0 | N-acetylneuraminic acids | antioxidant;
bacterial metabolite;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
human metabolite;
mouse metabolite |
tetragastrin
Tetragastrin: L-Tryptophyl-L-methionyl-L-aspartyl-L-phenylalaninamide. The C-terminal tetrapeptide of gastrin. It is the smallest peptide fragment of gastrin which has the same physiological and pharmacological activity as gastrin.. tetragastrin : A tetrapeptide composed of L-tryptophan, L-methione, L-aspartic acid and L-phenylalaninamide residues joined in sequence. | 1.97 | 1 | 0 | peptidyl amide;
tetrapeptide | anxiogenic;
human metabolite |
aspartyl-aspartic acid
aspartyl-aspartic acid: do not confuse with cyclo(Asp-Asp). Asp-Asp : A dipeptide formed from two L-aspartic acid units. | 2.06 | 1 | 0 | dipeptide | Mycoplasma genitalium metabolite |
glycosides
[no description available] | 2.05 | 1 | 0 | | |
phenylthiourea
Phenylthiourea: Phenylthiourea is a THIOUREA derivative containing a phenyl ring. Depending on their genetic makeup, humans can find it either bitter-tasting or tasteless.. N-phenylthiourea : A member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a phenyl group. Depending on their genetic makeup, humans find it either very bitter-tasting or tasteless. This unusual property resulted in N-phenylthiourea being used in paternity testing prior to the advent of DNA testing. | 1.95 | 1 | 0 | thioureas | EC 1.14.18.1 (tyrosinase) inhibitor |
rhodanine
2-mercaptothiazolinone: metabolite in urine from persons exposed to CS2; structure | 2.02 | 1 | 0 | thiazolidinone | |
thiohydantoins
Thiohydantoins: Sulfur analogs of hydantoins with one or both carbonyl groups replaced by thiocarbonyl groups. | 2.31 | 1 | 0 | | |
thiourea
Thiourea: A photographic fixative used also in the manufacture of resins. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance may reasonably be anticipated to be a carcinogen (Merck Index, 9th ed). Many of its derivatives are ANTITHYROID AGENTS and/or FREE RADICAL SCAVENGERS.. thiourea : The simplest member of the thiourea class, consisting of urea with the oxygen atom substituted by sulfur. | 7.48 | 2 | 0 | one-carbon compound;
thioureas;
ureas | antioxidant;
chromophore |
glycylvaline
glycylvaline: RN given refers to (DL)-isomer | 2.07 | 1 | 0 | dipeptide | human metabolite |
1,1-diphenyl-2-picrylhydrazyl
1,1-diphenyl-2-picrylhydrazyl: A diphenyl picrate; the ability to decolorize this stable radical indicates reactivity of tested compounds (Banda, Anal Chem 46:1772-7 1974) | 2.25 | 1 | 0 | | |
laccase
Laccase: A copper-containing oxidoreductase enzyme that catalyzes the oxidation of 4-benzenediol to 4-benzosemiquinone. It also has activity towards a variety of O-quinols and P-quinols. It primarily found in FUNGI and is involved in LIGNIN degradation, pigment biosynthesis and detoxification of lignin-derived products. | 2.21 | 1 | 0 | | |
sodium dodecyl sulfate
Sodium Dodecyl Sulfate: An anionic surfactant, usually a mixture of sodium alkyl sulfates, mainly the lauryl; lowers surface tension of aqueous solutions; used as fat emulsifier, wetting agent, detergent in cosmetics, pharmaceuticals and toothpastes; also as research tool in protein biochemistry.. sodium dodecyl sulfate : An organic sodium salt that is the sodium salt of dodecyl hydrogen sulfate. | 1.99 | 1 | 0 | organic sodium salt | detergent;
protein denaturant |
alpha-chymotrypsin
Chymotrypsin: A serine endopeptidase secreted by the pancreas as its zymogen, CHYMOTRYPSINOGEN and carried in the pancreatic juice to the duodenum where it is activated by TRYPSIN. It selectively cleaves aromatic amino acids on the carboxyl side. | 2.42 | 2 | 0 | | |
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione: a GSK3beta inhibitor. TDZD-8 : A member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a methyl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta). An experimental compound which was being developed for the potential treatment of Alzheimer's disease. | 2.02 | 1 | 0 | benzenes;
thiadiazolidine | anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent |
naphthoquinones
Naphthoquinones: Naphthalene rings which contain two ketone moieties in any position. They can be substituted in any position except at the ketone groups. | 7.13 | 1 | 0 | | |
cathepsin g
Cathepsin G: A serine protease found in the azurophil granules of NEUTROPHILS. It has an enzyme specificity similar to that of chymotrypsin C. | 6.98 | 1 | 0 | | |
zearalenone
Zearalenone: (S-(E))-3,4,5,6,8,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione. One of a group of compounds known under the general designation of resorcylic acid lactones. Cis, trans, dextro and levo forms have been isolated from the fungus Gibberella zeae (formerly Fusarium graminearum). They have estrogenic activity, cause toxicity in livestock as feed contaminant, and have been used as anabolic or estrogen substitutes.. zearalenone : A macrolide comprising a fourteen-membered lactone fused to 1,3-dihydroxybenzene; a potent estrogenic metabolite produced by some Giberella species. | 2.08 | 1 | 0 | macrolide;
resorcinols | fungal metabolite;
mycoestrogen |
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. | 2.67 | 3 | 0 | alkali 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. | 2.17 | 1 | 0 | chalcogen;
nonmetal atom | macronutrient |
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. | 3.85 | 3 | 0 | cysteinium | fundamental metabolite |
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid: chromogen in glucose oxidase-peroxidase method for determining serum glucose; used in free radical scavenging assays; structure in first source | 2.25 | 1 | 0 | | |
alpha-aspartylalanine
alpha-aspartylalanine: found in pig brain. Asp-Ala : A dipeptide formed from L-alpha-aspartyl and L-valine residues. | 1.98 | 1 | 0 | dipeptide | metabolite |
nitrofurantoin
Nitrofurantoin: A urinary anti-infective agent effective against most gram-positive and gram-negative organisms. Although sulfonamides and antibiotics are usually the agents of choice for urinary tract infections, nitrofurantoin is widely used for prophylaxis and long-term suppression.. nitrofurantoin : An imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a [(5-nitro-2-furyl)methylene]amino group. An antibiotic that damages bacterial DNA. | 2.31 | 1 | 0 | imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic | antibacterial drug;
antiinfective agent;
hepatotoxic agent |
furagin
Furagin: Nitrofuran derivative anti-infective agent used for urinary tract infections.. furagin : An imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a [3-(5-nitro-2-furyl)prop-2-en-1-ylidene]amino group (the configuration of the C=C and C=N bonds in the grouping that links the two heterocycles is not specified). A nitrofuran antibiotic with properties similar to nitrofurantoin, furagin is used in the treatment of urinary tract infections. | 2.31 | 1 | 0 | | |
mannich bases
Mannich Bases: Ketonic amines prepared from the condensation of a ketone with formaldehyde and ammonia or a primary or secondary amine. A Mannich base can act as the equivalent of an alpha,beta unsaturated ketone in synthesis or can be reduced to form physiologically active amino alcohols. | 7.05 | 1 | 0 | | |
azumolene
azumolene: structure given in first source; RN given refers to parent cpd. azumolene : A 1,3-oxazole which is substituted by a [(2,4-dioxoimidazolidin-1-yl)imino]methyl group at position 2 and a 4-bromophenyl group at position 5. It is a muscle relaxant used for the treatment/prevention of malignant hyperthermia. | 2.31 | 1 | 0 | | |
monomethyl auristatin e
[no description available] | 2.25 | 1 | 0 | | |
losartan potassium
Erythropoietin: Glycoprotein hormone, secreted chiefly by the KIDNEY in the adult and the LIVER in the FETUS, that acts on erythroid stem cells of the BONE MARROW to stimulate proliferation and differentiation. | 2.08 | 1 | 0 | | |
gastrins
Gastrins: A family of gastrointestinal peptide hormones that excite the secretion of GASTRIC JUICE. They may also occur in the central nervous system where they are presumed to be neurotransmitters. | 1.97 | 1 | 0 | | |
oligonucleotides
[no description available] | 2.08 | 1 | 0 | | |
glucagon-like peptide 1
Glucagon-Like Peptide 1: A peptide of 36 or 37 amino acids that is derived from PROGLUCAGON and mainly produced by the INTESTINAL L CELLS. GLP-1(1-37 or 1-36) is further N-terminally truncated resulting in GLP-1(7-37) or GLP-1-(7-36) which can be amidated. These GLP-1 peptides are known to enhance glucose-dependent INSULIN release, suppress GLUCAGON release and gastric emptying, lower BLOOD GLUCOSE, and reduce food intake. | 2.31 | 1 | 0 | | |
n-formylglycinamide
N-formylglycinamide: structure in first source | 2 | 1 | 0 | | |
chitosan
[no description available] | 2.13 | 1 | 0 | | |
mersalyl
Mersalyl: A toxic thiol mercury salt formerly used as a diuretic. It inhibits various biochemical functions, especially in mitochondria, and is used to study those functions. | 1.96 | 1 | 0 | | |
s-adenosylmethionine
(R)-S-adenosyl-L-methionine : An S-adenosyl-L-methionine that has R-configuration.. S-adenosyl-L-methionine zwitterion : A zwitterionic tautomer of S-adenosyl-L-methionine arising from shift of the proton from the carboxy group to the amino group.. (R)-S-adenosyl-L-methionine zwitterion : An S-adenosyl-L-methionine zwitterion that has R-configuration; major species at pH 7.3.. (S)-S-adenosyl-L-methionine zwitterion : An S-adenosyl-L-methionine zwitterion that has S-configuration; major species at pH 7.3.. S-adenosyl-L-methionine : A sulfonium compound that is the S-adenosyl derivative of L-methionine. It is an intermediate in the metabolic pathway of methionine. | 2.41 | 1 | 0 | organic cation;
sulfonium compound | coenzyme;
cofactor;
human metabolite;
micronutrient;
Mycoplasma genitalium metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
cc-122
3-(5-amino-2-methyl-4-oxoquinazolin-3(4H)-yl)piperidine-2,6-dione: a pleiotropic pathway modifier with antineoplastic activity; structure in first source | 2.31 | 1 | 0 | | |
sofosbuvir
Sofosbuvir: A uridine monophosphate analog inhibitor of HEPATITIS C VIRUS (HCV) polymerase NS5B that is used as an ANTIVIRAL AGENT in the treatment of CHRONIC HEPATITIS C.. sofosbuvir : A nucleotide conjugate that is used in combination with ledipasvir (under the trade name Harvoni) for the treatment of chronic hepatitis C genotype 1 infection. | 2.31 | 1 | 0 | isopropyl ester;
L-alanyl ester;
nucleotide conjugate;
organofluorine compound;
phosphoramidate ester | antiviral drug;
hepatitis C protease inhibitor;
prodrug |
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. | 2.36 | 2 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |
abt-333
dasabuvir: an antiviral agent. dasabuvir : A member of the class of pyrimidone, which is (as the monohydrate of its sodium salt) in combination with ombitasvir, paritaprevir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. | 2.31 | 1 | 0 | aromatic ether;
naphthalenes;
pyrimidone;
sulfonamide | antiviral drug;
nonnucleoside hepatitis C virus polymerase inhibitor |
asperparaline a
aspergillimide: isolated from Aspergillus; structure in first source. asperparaline A : An alkaloid isolated from Aspergillus aculeatus. | 7 | 1 | 0 | alkaloid;
azaspiro compound;
dicarboximide | Aspergillus metabolite |
alcohol oxidase
[no description available] | 7.05 | 1 | 0 | | |
muramidase
Muramidase: A basic enzyme that is present in saliva, tears, egg white, and many animal fluids. It functions as an antibacterial agent. The enzyme catalyzes the hydrolysis of 1,4-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrin. EC 3.2.1.17. | 3.3 | 6 | 0 | | |
concanavalin a
Concanavalin A: A MANNOSE/GLUCOSE binding lectin isolated from the jack bean (Canavalia ensiformis). It is a potent mitogen used to stimulate cell proliferation in lymphocytes, primarily T-lymphocyte, cultures. | 2.15 | 1 | 0 | | |