3-bromophenol is an organic compound with the formula C6H4BrOH. It is a colorless solid that is used as a precursor to other organic compounds. 3-bromophenol can be synthesized by bromination of phenol. It has been studied for its antimicrobial, antioxidant, and anti-inflammatory properties. 3-bromophenol has been used as a reagent in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. It is also used as a building block in the synthesis of various polymers. 3-bromophenol is an important intermediate in the production of several industrial chemicals.'
| ID Source | ID |
|---|---|
| PubMed CID | 11563 |
| CHEMBL ID | 185651 |
| SCHEMBL ID | 49927 |
| MeSH ID | M0120983 |
| Synonym |
|---|
| unii-vmu0x6956y |
| einecs 209-706-5 |
| vmu0x6956y , |
| hsdb 7649 |
| bdbm50150795 |
| phenol, m-bromo- |
| m-bromophenol |
| 591-20-8 |
| 3-bromophenol , |
| phenol, 3-bromo- |
| inchi=1/c6h5bro/c7-5-2-1-3-6(8)4-5/h1-4,8 |
| 3-bromophenol, 98% |
| B0629 |
| AKOS000118744 |
| CHEMBL185651 , |
| 3-bromo-phenol |
| A832171 |
| 3-bromanylphenol |
| b3r , |
| 3-bromo phenol |
| STL280238 |
| FT-0615113 |
| FT-0601041 |
| PS-4040 |
| AM20060304 |
| bromophenol, m- |
| m-bromophenol [mi] |
| m-bromophenol [hsdb] |
| SCHEMBL49927 |
| DTXSID9060449 |
| meta-bromophenol |
| meta-bromo-phenol |
| 1-bromo-3-hydroxy-benzene |
| 3-bromophenyl alcohol |
| meta bromophenol |
| Q-200364 |
| STR02996 |
| mfcd00002253 |
| F0001-1548 |
| 3-bromophenol, purum, >=97.5% (hplc) |
| phenol, 3-bromo-; phenol, m-bromo- (8ci); 3-bromophenol; m-bromophenol |
| Q26421128 |
| EN300-19434 |
| Z104473834 |
| Excerpt | Relevance | Reference |
|---|---|---|
| " To search for them, phenobarbital-induced Sprague-Dawley rats were dosed (0." | ( Dihydroxylated mercapturic acid metabolites of bromobenzene. Hanzlik, RP; Zheng, J, ) | 0.13 |
| " The pathways from bromobenzene to phenols and to sulfur-containing metabolites derived from premercapturic acids show species and dosage variation." | ( Pathways of formation of 2-, 3- and 4-bromophenol from bromobenzene. Proposed mechanism for C-S lyase reactions of cysteine conjugates. Horning, EC; Horning, MG; Lertratanangkoon, K, 1993) | 0.29 |
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 | Homo sapiens (human) | IC50 (µMol) | 100.0000 | 0.0400 | 2.0998 | 10.0000 | AID241374 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 | Homo sapiens (human) | IC50 (µMol) | 100.0000 | 0.1000 | 2.4523 | 10.0000 | AID241245 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID1134600 | Octanol-water partition coefficient, log P of the compound | 1977 | Journal of medicinal chemistry, Aug, Volume: 20, Issue:8 | Hydrogen-bonding parameter and its significance in quantitative structure--activity studies. |
| AID237340 | Calculated octanol-water partition coefficient (ClogP) | 2004 | Journal of medicinal chemistry, Jul-29, Volume: 47, Issue:16 | Probing the activity differences of simple and complex brominated aryl compounds against 15-soybean, 15-human, and 12-human lipoxygenase. |
| AID241036 | Inhibitory effect on soybean 15-lipoxygenase | 2004 | Journal of medicinal chemistry, Jul-29, Volume: 47, Issue:16 | Probing the activity differences of simple and complex brominated aryl compounds against 15-soybean, 15-human, and 12-human lipoxygenase. |
| AID241245 | Inhibitory effect on human platelet 12-lipoxygenase | 2004 | Journal of medicinal chemistry, Jul-29, Volume: 47, Issue:16 | Probing the activity differences of simple and complex brominated aryl compounds against 15-soybean, 15-human, and 12-human lipoxygenase. |
| AID241374 | Inhibitory effect on human reticulocyte 15-lipoxygenase | 2004 | Journal of medicinal chemistry, Jul-29, Volume: 47, Issue:16 | Probing the activity differences of simple and complex brominated aryl compounds against 15-soybean, 15-human, and 12-human lipoxygenase. |
| AID282835 | Cytotoxicity against mouse L1210 cells | 2005 | Journal of medicinal chemistry, Nov-17, Volume: 48, Issue:23 | Cellular apoptosis and cytotoxicity of phenolic compounds: a quantitative structure-activity relationship study. |
| AID346025 | Binding affinity to beta cyclodextrin | 2009 | Bioorganic & medicinal chemistry, Jan-15, Volume: 17, Issue:2 | Convenient QSAR model for predicting the complexation of structurally diverse compounds with beta-cyclodextrins. |
| AID282834 | Activity against caspase-mediated apoptosis in mouse L1210 cells | 2005 | Journal of medicinal chemistry, Nov-17, Volume: 48, Issue:23 | Cellular apoptosis and cytotoxicity of phenolic compounds: a quantitative structure-activity relationship study. |
| AID282833 | Activity against caspase-mediated apoptosis in mouse L1210 cells at 0.1 mM | 2005 | Journal of medicinal chemistry, Nov-17, Volume: 48, Issue:23 | Cellular apoptosis and cytotoxicity of phenolic compounds: a quantitative structure-activity relationship study. |
| AID1134603 | Oleyl alcohol-water partition coefficient, log P of the compound | 1977 | Journal of medicinal chemistry, Aug, Volume: 20, Issue:8 | Hydrogen-bonding parameter and its significance in quantitative structure--activity studies. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 5 (31.25) | 18.7374 |
| 1990's | 2 (12.50) | 18.2507 |
| 2000's | 5 (31.25) | 29.6817 |
| 2010's | 4 (25.00) | 24.3611 |
| 2020's | 0 (0.00) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be strong demand-to-supply ratio for research on this compound.
| This Compound (44.78) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 0 (0.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 18 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|---|---|---|---|---|
| 4-hydroxybenzyl alcohol 4-hydroxybenzyl alcohol: the aglycone of gastrodin. p-hydroxybenzyl alcohol : A member of the class of benzyl alcohols that is benzyl alcohol substituted by a hydroxy group at position 4. It has been isolated from Arcangelisia gusanlung. | 2.05 | 1 | 0 | benzyl alcohols; phenols | plant metabolite |
| 4-hydroxybenzaldehyde [no description available] | 2.68 | 3 | 0 | hydroxybenzaldehyde | EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor; mouse metabolite; plant metabolite |
| 4-hydroxybenzoic acid 4-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring. | 2.05 | 1 | 0 | monohydroxybenzoic acid | algal 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. | 2.38 | 2 | 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. | 1.95 | 1 | 0 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
| 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. | 2.05 | 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 |
| 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). | 2.38 | 2 | 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] | 2.38 | 2 | 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] | 2.38 | 2 | 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. | 2.38 | 2 | 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. | 2.38 | 2 | 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. | 2.38 | 2 | 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 |
| catechol [no description available] | 2.02 | 1 | 0 | catechols | allelochemical; genotoxin; plant metabolite |
| 2-cresol 2-cresol: RN given refers to parent cpd. o-cresol : A cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene. | 2.02 | 1 | 0 | cresol | human xenobiotic 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. | 2.68 | 3 | 0 | cresol | human xenobiotic metabolite |
| guaiacol Guaiacol: An agent thought to have disinfectant properties and used as an expectorant. (From Martindale, The Extra Pharmacopoeia, 30th ed, p747). methylcatechol : Any member of the class of catechols carrying one or more methyl substituents.. guaiacol : A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position. | 2.02 | 1 | 0 | guaiacols | disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite |
| dibenzofuran Dibenzofurans: Compounds that include the structure of dibenzofuran.. dibenzofurans : Any organic heterotricyclic compound based on a dibenzofuran skeleton and its substituted derivatives thereof.. dibenzofuran : A mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions. | 2.05 | 1 | 0 | dibenzofurans; mancude organic heterotricyclic parent; polycyclic heteroarene | xenobiotic |
| hydroquinone [no description available] | 2.44 | 2 | 0 | benzenediol; hydroquinones | antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent |
| 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. | 2.05 | 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 |
| 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. | 2.38 | 2 | 0 | acetamides; anilide | analgesic |
| 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 | 1 | 0 | metal allergen; nickel group element atom | epitope; micronutrient |
| 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. | 2.38 | 2 | 0 | dimethylaniline; tertiary amine | |
| 1-octanol 1-Octanol: A colorless, slightly viscous liquid used as a defoaming or wetting agent. It is also used as a solvent for protective coatings, waxes, and oils, and as a raw material for plasticizers. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). octan-1-ol : An octanol carrying the hydroxy group at position 1. | 2.05 | 1 | 0 | octanol; primary alcohol | antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite |
| 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. | 2.44 | 2 | 0 | 4-nitrophenols | human xenobiotic metabolite; mouse metabolite |
| phenol [no description available] | 2.91 | 4 | 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. | 2.38 | 2 | 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 |
| 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. | 2.38 | 2 | 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 |
| pyridoxal phosphate Pyridoxal Phosphate: This is the active form of VITAMIN B 6 serving as a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, aminolevulinic acid. During transamination of amino acids, pyridoxal phosphate is transiently converted into pyridoxamine phosphate (PYRIDOXAMINE).. pyridoxal 5'-phosphate : The monophosphate ester obtained by condensation of phosphoric acid with the primary hydroxy group of pyridoxal. | 1.98 | 1 | 0 | methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate | coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| toluene methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups. | 2.38 | 2 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
| 4-nonylphenol 4-nonylphenol: structure in first source; see also record for nonylphenol. 4-nonylphenol : A member of the class of phenols that is phenol which is para-substituted with a nonyl group. | 2.02 | 1 | 0 | phenols | environmental contaminant |
| acetaminophen Acetaminophen: Analgesic antipyretic derivative of acetanilide. It has weak anti-inflammatory properties and is used as a common analgesic, but may cause liver, blood cell, and kidney damage.. paracetamol : A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group. | 2.02 | 1 | 0 | acetamides; phenols | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
| acetohexamide Acetohexamide: A sulfonylurea hypoglycemic agent that is metabolized in the liver to 1-hydrohexamide.. acetohexamide : An N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens is replaced by a p-acetylphenylsulfonyl group, while a hydrogen attached to the other nitrogen is replaced by a cyclohexyl group. | 2.05 | 1 | 0 | acetophenones; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
| p-aminohippuric acid p-Aminohippuric Acid: The glycine amide of 4-aminobenzoic acid. Its sodium salt is used as a diagnostic aid to measure effective renal plasma flow (ERPF) and excretory capacity.. p-aminohippurate : A hippurate that is the conjugate base of p-aminohippuric acid, arising from deprotonation of the carboxy group.. p-aminohippuric acid : An N-acylglycine that is the 4-amino derivative of hippuric acid; used as a diagnostic agent in the measurement of renal plasma flow. | 1.96 | 1 | 0 | N-acylglycine | Daphnia magna metabolite |
| amobarbital Amobarbital: A barbiturate with hypnotic and sedative properties (but not antianxiety). Adverse effects are mainly a consequence of dose-related CNS depression and the risk of dependence with continued use is high. (From Martindale, The Extra Pharmacopoeia, 30th ed, p565). amobarbital : A member of the class of barbiturates that is pyrimidine-2,4,6(1H,3H,5H)-trione substituted by a 3-methylbutyl and an ethyl group at position 5. Amobarbital has been shown to exhibit sedative and hypnotic properties. | 2.05 | 1 | 0 | barbiturates | |
| 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 |
| barbital 5,5-diethylbarbituric acid : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by two ethyl groups. Formerly used as a hypnotic (sleeping aid). | 2.05 | 1 | 0 | barbiturates | drug allergen |
| bendroflumethiazide Bendroflumethiazide: A thiazide diuretic with actions and uses similar to those of HYDROCHLOROTHIAZIDE. It has been used in the treatment of familial hyperkalemia, hypertension, edema, and urinary tract disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p810). bendroflumethiazide : A sulfonamide consisting of 7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position 6 is substituted by a trifluoromethyl group and that at position 3 is substituted by a benzyl group. | 2.05 | 1 | 0 | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic |
| 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 | |
| benzocaine Benzocaine: A surface anesthetic that acts by preventing transmission of impulses along NERVE FIBERS and at NERVE ENDINGS.. dextran sulfate sodium : An organic sodium salt of dextran sulfate. It induces colitis in mice.. benzocaine : A benzoate ester having 4-aminobenzoic acid as the acid component and ethanol as the alcohol component. A surface anaesthetic, it is used to suppress the gag reflex, and as a lubricant and topical anaesthetic on the larynx, mouth, nasal cavity, respiratory tract, oesophagus, rectum, urinary tract, and vagina. | 2.05 | 1 | 0 | benzoate ester; substituted aniline | allergen; antipruritic drug; sensitiser; topical anaesthetic |
| butamben butamben: structure. butamben : An amino acid ester resulting from the formal condensation of the carboxy group of 4-aminobenzoic acid with the hydroxy group of butan-1-ol. Its local anaesthetic properties have been used for surface anaesthesia of the skin and mucous membranes, and for relief of pain and itching associated with some anorectal disorders. | 2.05 | 1 | 0 | amino acid ester; benzoate ester; primary amino compound; substituted aniline | local anaesthetic |
| 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 |
| 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. | 2.68 | 3 | 0 | cresol | Escherichia coli metabolite; human metabolite; uremic toxin |
| diazepam Diazepam: A benzodiazepine with anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties and a long duration of action. Its actions are mediated by enhancement of GAMMA-AMINOBUTYRIC ACID activity.. diazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a methyl group at position 1 and a phenyl group at position 5. | 2.05 | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
| dibenzothiophene dibenzothiophene : A mancude organic heterotricyclic parent that consists of a thiophene ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions. | 2.05 | 1 | 0 | dibenzothiophenes; mancude organic heterotricyclic parent | keratolytic drug |
| 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 |
| fenbufen fenbufen: structure; RN given refers to parent cpd | 2.05 | 1 | 0 | 4-oxo monocarboxylic acid; biphenyls | non-steroidal anti-inflammatory drug |
| fludiazepam fludiazepam: RN given refers to parent cpd; structure | 2.05 | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound; organofluorine compound | anxiolytic drug |
| flufenamic acid Flufenamic Acid: An anthranilic acid derivative with analgesic, anti-inflammatory, and antipyretic properties. It is used in musculoskeletal and joint disorders and administered by mouth and topically. (From Martindale, The Extra Pharmacopoeia, 30th ed, p16). flufenamic acid : An aromatic amino acid consisting of anthranilic acid carrying an N-(trifluoromethyl)phenyl substituent. An analgesic and anti-inflammatory, it is used in rheumatic disorders. | 2.05 | 1 | 0 | aromatic amino acid; organofluorine compound | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| flurbiprofen Flurbiprofen: An anti-inflammatory analgesic and antipyretic of the phenylalkynoic acid series. It has been shown to reduce bone resorption in periodontal disease by inhibiting CARBONIC ANHYDRASE.. flurbiprofen : A monocarboxylic acid that is a 2-fluoro-[1,1'-biphenyl-4-yl] moiety linked to C-2 of propionic acid. A non-steroidal anti-inflammatory, analgesic and antipyretic, it is used as a pre-operative anti-miotic as well as orally for arthritis or dental pain. | 2.05 | 1 | 0 | fluorobiphenyl; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| furosemide Furosemide: A benzoic-sulfonamide-furan. It is a diuretic with fast onset and short duration that is used for EDEMA and chronic RENAL INSUFFICIENCY.. furosemide : A chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure. | 2.05 | 1 | 0 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
| hexobarbital Hexobarbital: A barbiturate that is effective as a hypnotic and sedative.. hexobarbital : A member of the class of barbiturates taht is barbituric acid substituted at N-1 by methyl and at C-5 by methyl and cyclohex-1-enyl groups. | 2.05 | 1 | 0 | barbiturates | |
| hydrochlorothiazide Hydrochlorothiazide: A thiazide diuretic often considered the prototypical member of this class. It reduces the reabsorption of electrolytes from the renal tubules. This results in increased excretion of water and electrolytes, including sodium, potassium, chloride, and magnesium. It is used in the treatment of several disorders including edema, hypertension, diabetes insipidus, and hypoparathyroidism.. hydrochlorothiazide : A benzothiadiazine that is 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted by a chloro group at position 6 and a sulfonamide at 7. It is diuretic used for the treatment of hypertension and congestive heart failure. | 2.05 | 1 | 0 | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
| 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. | 1.96 | 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 |
| 2-propanol 2-Propanol: An isomer of 1-PROPANOL. It is a colorless liquid having disinfectant properties. It is used in the manufacture of acetone and its derivatives and as a solvent. Topically, it is used as an antiseptic.. propan-2-ol : A secondary alcohol that is propane in which one of the hydrogens attached to the central carbon is substituted by a hydroxy group. | 2.05 | 1 | 0 | secondary alcohol; secondary fatty alcohol | protic solvent |
| ketoprofen Ketoprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It is used in the treatment of rheumatoid arthritis and osteoarthritis.. ketoprofen : An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2. | 2.05 | 1 | 0 | benzophenones; oxo monocarboxylic acid | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic |
| meclofenamic acid Meclofenamic Acid: A non-steroidal anti-inflammatory agent with antipyretic and antigranulation activities. It also inhibits prostaglandin biosynthesis.. meclofenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,6-dichloro-3-methylphenyl group. A non-steroidal anti-inflammatory drug, it is used as the sodium salt for the treatment of dysmenorrhoea (painful periods), osteoarthritis and rheumatoid arthritis. | 2.05 | 1 | 0 | aminobenzoic acid; organochlorine compound; secondary amino compound | analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
| medazepam Medazepam: A benzodiazepine derivative used in the treatment of anxiety. It has sedative, muscle relaxant, and anticonvulsant properties. One of its metabolites is DIAZEPAM and one of its excretion products is OXAZEPAM. | 2.05 | 1 | 0 | organic molecular entity | |
| mefenamic acid Mefenamic Acid: A non-steroidal anti-inflammatory agent with analgesic, anti-inflammatory, and antipyretic properties. It is an inhibitor of cyclooxygenase.. mefenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,3-dimethylphenyl group. Although classed as a non-steroidal anti-inflammatory drug, its anti-inflammatory properties are considered to be minor. It is used to relieve mild to moderate pain, including headaches, dental pain, osteoarthritis and rheumatoid arthritis. | 2.05 | 1 | 0 | aminobenzoic acid; secondary amino compound | analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic |
| vitamin k 3 Vitamin K 3: A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation in vivo. | 2.05 | 1 | 0 | 1,4-naphthoquinones; vitamin K | angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical |
| 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 |
| fenamic acid fenamic acid: has chloride and potassium channel-blocking activity; RN given refers to parent cpd. fenamic acid : An aminobenzoic acid that is the N-phenyl derivative of anthranilic acid. It acts as a parent skeleton for the synthesis of several non-steroidal anti-inflammatory drugs. | 2.05 | 1 | 0 | aminobenzoic acid; secondary amino compound | membrane transport modulator |
| nimetazepam nimetazepam : A nitrazepam which is substituted at positions 1 by a methyl group. It is used as an anticonvulsant and as a hypnotic for the short-term management of insomnia. | 2.05 | 1 | 0 | 1,4-benzodiazepinone; C-nitro compound | anticonvulsant; antispasmodic drug; GABA modulator; sedative |
| nitrazepam Nitrazepam: A benzodiazepine derivative used as an anticonvulsant and hypnotic.. nitrazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one which is substituted at positions 5 and 7 by phenyl and nitro groups, respectively. It is used as a hypnotic for the short-term management of insomnia and for the treatment of epileptic spasms in infants (West's syndrome). | 2.05 | 1 | 0 | 1,4-benzodiazepinone; C-nitro compound | anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative |
| 4-chlorophenol 4-chlorophenol: used as a root canal irrigant. 4-chlorophenol : A monochlorophenol substituted at the pare position by a chlorine atom. | 2.68 | 3 | 0 | monochlorophenol | |
| pentobarbital Pentobarbital: A short-acting barbiturate that is effective as a sedative and hypnotic (but not as an anti-anxiety) agent and is usually given orally. It is prescribed more frequently for sleep induction than for sedation but, like similar agents, may lose its effectiveness by the second week of continued administration. (From AMA Drug Evaluations Annual, 1994, p236). pentobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and sec-pentyl groups. | 2.05 | 1 | 0 | barbiturates | GABAA receptor agonist |
| phenazine [no description available] | 2.05 | 1 | 0 | azaarene; heteranthrene; mancude organic heterotricyclic parent; phenazines; polycyclic heteroarene | |
| 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. | 2.05 | 1 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
| propofol Propofol: An intravenous anesthetic agent which has the advantage of a very rapid onset after infusion or bolus injection plus a very short recovery period of a couple of minutes. (From Smith and Reynard, Textbook of Pharmacology, 1992, 1st ed, p206). Propofol has been used as ANTICONVULSANTS and ANTIEMETICS.. propofol : A phenol resulting from the formal substitution of the hydrogen at the 2 position of 1,3-diisopropylbenzene by a hydroxy group. | 2.02 | 1 | 0 | phenols | anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative |
| 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 |
| resorcinol resorcinol: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7951. resorcinol : A benzenediol that is benzene dihydroxylated at positions 1 and 3. | 2.02 | 1 | 0 | benzenediol; phenolic donor; resorcinols | erythropoietin inhibitor; sensitiser |
| salicyl alcohol salicyl alcohol: RN given refers to parent cpd; saligenin is the aglycone of salicin; structure; it is oxidatively metabolized to gentisic acid. salicyl alcohol : A hydroxybenzyl alcohol that is phenol substituted by a hydroxymethyl group at C-2. | 2.02 | 1 | 0 | aromatic primary alcohol; hydroxybenzyl alcohol | human urinary metabolite |
| sulfadiazine Sulfadiazine: One of the short-acting SULFONAMIDES used in combination with PYRIMETHAMINE to treat toxoplasmosis in patients with acquired immunodeficiency syndrome and in newborns with congenital infections.. sulfadiazine : A sulfonamide consisting of pyrimidine with a 4-aminobenzenesulfonamido group at the 2-position.. diazine : The parent structure of the diazines. | 2.05 | 1 | 0 | pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic |
| sulfadimethoxine Sulfadimethoxine: A sulfanilamide that is used as an anti-infective agent.. sulfadimethoxine : A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. | 2.05 | 1 | 0 | aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic |
| sulfamerazine [no description available] | 2.05 | 1 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen |
| sulfamonomethoxine Sulfamonomethoxine: Long acting sulfonamide antibacterial agent. | 2.05 | 1 | 0 | benzenes; sulfonamide | |
| sulfanilamide [no description available] | 2.38 | 2 | 0 | substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| sulfaphenazole Sulfaphenazole: A sulfonilamide anti-infective agent.. sulfaphenazole : A sulfonamide that is sulfanilamide in which the sulfonamide nitrogen is substituted by a 1-phenyl-1H-pyrazol-5-yl group. It is a selective inhibitor of cytochrome P450 (CYP) 2C9 isozyme, and antibacterial agent. | 2.05 | 1 | 0 | primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor |
| sulfapyridine Sulfapyridine: Antibacterial, potentially toxic, used to treat certain skin diseases.. sulfapyridine : A sulfonamide consisting of pyridine with a 4-aminobenzenesulfonamido group at the 2-position. | 2.05 | 1 | 0 | pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic |
| sulfisomidine Sulfisomidine: A sulfanilamide antibacterial agent.. sulfisomidine : A sulfonamide consisting of pyrimidine having methyl substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. | 2.05 | 1 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antiinfective agent |
| sulfisoxazole Sulfisoxazole: A short-acting sulfonamide antibacterial with activity against a wide range of gram- negative and gram-positive organisms.. sulfisoxazole : A sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms. | 2.05 | 1 | 0 | isoxazoles; sulfonamide antibiotic; sulfonamide | antibacterial drug; drug allergen |
| tetraethylammonium Tetraethylammonium: A potassium-selective ion channel blocker. (From J Gen Phys 1994;104(1):173-90) | 1.96 | 1 | 0 | quaternary ammonium ion | |
| tolnaftate [no description available] | 2.05 | 1 | 0 | monothiocarbamic ester | antifungal drug |
| 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 |
| hydrocortisone acetate hydrocortisone acetate: RN given refers to cpd without isomeric designation | 2.05 | 1 | 0 | cortisol ester; tertiary alpha-hydroxy ketone | |
| cortisone acetate Cortisone Acetate: The acetate ester of cortisone that is used mainly for replacement therapy in adrenocortical insufficiency and in the treatment of many allergic and inflammatory disorders. | 2.05 | 1 | 0 | corticosteroid hormone | |
| corticosterone [no description available] | 2.05 | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
| prednisolone Prednisolone: A glucocorticoid with the general properties of the corticosteroids. It is the drug of choice for all conditions in which routine systemic corticosteroid therapy is indicated, except adrenal deficiency states.. prednisolone : A glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone. | 2.05 | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic |
| 2-aminophenol [no description available] | 2.02 | 1 | 0 | aminophenol | bacterial metabolite |
| spironolactone Spironolactone: A potassium sparing diuretic that acts by antagonism of aldosterone in the distal renal tubules. It is used mainly in the treatment of refractory edema in patients with congestive heart failure, nephrotic syndrome, or hepatic cirrhosis. Its effects on the endocrine system are utilized in the treatments of hirsutism and acne but they can lead to adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p827). spironolactone : A steroid lactone that is 17alpha-pregn-4-ene-21,17-carbolactone substituted by an oxo group at position 3 and an alpha-acetylsulfanyl group at position 7. | 2.05 | 1 | 0 | 3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester | aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
| prednisolone acetate prednisolone acetate: RN given refers to cpd with locant for acetate group in position 21 & (11 beta)-isomer | 2.05 | 1 | 0 | corticosteroid hormone | |
| cyclobarbital cyclobarbital: was heading 1977-94 (see under BARBITURATES 1977-90); CYCLOBARBITONE, HEXEMAL, & TETRAHYDROPHENOBARBITAL were see CYCLOBARBITAL 1977-94; use BARBITURATES to search CYCLOBARBITAL 1977-94; short to intermediate duration barbiturate used as hypnotic and sedative | 2.05 | 1 | 0 | barbiturates | |
| allobarbital allobarbital: was heading 1976-94 (see under BARBITURATES 1976-90); ALLOBARBITONE, DIALLYLBARBITAL, DIALLYLBARBITURIC ACID, & DIALLYLMAL were see ALLOBARBITAL 1976-94; use BARBITURATES to search ALLOBARBITAL 1976-94; a barbiturate derivative with effects of intermediate duration; at lower doses, it is used as a sedative; at higher doses, it displays hypnotic effects | 2.05 | 1 | 0 | barbiturates | |
| paramethasone Paramethasone: A glucocorticoid with the general properties of corticosteroids. It has been used by mouth in the treatment of all conditions in which corticosteroid therapy is indicated except adrenal-deficiency states for which its lack of sodium-retaining properties makes it less suitable than HYDROCORTISONE with supplementary FLUDROCORTISONE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p737) | 2.05 | 1 | 0 | fluorinated steroid | |
| 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. | 2.05 | 1 | 0 | chlorocarbon; chloromethanes | hepatotoxic agent; refrigerant |
| 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 |
| phenylethyl alcohol Phenylethyl Alcohol: An antimicrobial, antiseptic, and disinfectant that is used also as an aromatic essence and preservative in pharmaceutics and perfumery.. 2-phenylethanol : A primary alcohol that is ethanol substituted by a phenyl group at position 2. | 2.05 | 1 | 0 | benzenes; primary alcohol | Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite |
| 4-nitrobenzoic acid 4-nitrobenzoic acid: RN given refers to parent cpd. 4-nitrobenzoic acid : A nitrobenzoic acid having the nitro group at the 4-position. | 2.05 | 1 | 0 | nitrobenzoic acid | |
| aniline [no description available] | 2.38 | 2 | 0 | anilines; primary arylamine | |
| chloroform Chloroform: A commonly used laboratory solvent. It was previously used as an anesthetic, but was banned from use in the U.S. due to its suspected carcinogenicity.. chloroform : A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines. | 2.05 | 1 | 0 | chloromethanes; one-carbon compound | carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant |
| fluocinolone acetonide Fluocinolone Acetonide: A glucocorticoid derivative used topically in the treatment of various skin disorders. It is usually employed as a cream, gel, lotion, or ointment. It has also been used topically in the treatment of inflammatory eye, ear, and nose disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p732). fluocinolone acetonide : A fluorinated steroid that is flunisolide in which the hydrogen at position 9 is replaced by fluorine. A corticosteroid with glucocorticoid activity, it is used (both as the anhydrous form and as the dihydrate) in creams, gels and ointments for the treatment of various skin disorders. | 2.05 | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; glucocorticoid; organic heteropentacyclic compound; primary alpha-hydroxy ketone | anti-inflammatory drug; antipruritic drug |
| 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 | |
| 4-hydroxypropiophenone [no description available] | 2.05 | 1 | 0 | acetophenones | |
| 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. | 2.38 | 2 | 0 | pentanol; short-chain primary fatty alcohol | human metabolite; plant metabolite |
| acetonitrile acetonitrile: RN given refers to unlabeled cpd. acetonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group. | 2.05 | 1 | 0 | aliphatic nitrile; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent |
| tert-butyl alcohol tert-Butyl Alcohol: An isomer of butanol that contains a tertiary butyl group that consists of three methyl groups, each separately attached to a central (tertiary) carbon.. tert-butanol : A tertiary alcohol alcohol that is isobutane substituted by a hydroxy group at position 2. | 2.05 | 1 | 0 | tertiary alcohol | human xenobiotic metabolite |
| tert-amyl alcohol 2-methylbutan-2-ol : A tertiary alcohol that is propan-1-ol in which both of the hydrogens at position 1 have been replaced by methyl groups. | 2.05 | 1 | 0 | aliphatic alcohol; tertiary alcohol | protic solvent |
| triamcinolone acetonide Triamcinolone Acetonide: An esterified form of TRIAMCINOLONE. It is an anti-inflammatory glucocorticoid used topically in the treatment of various skin disorders. Intralesional, intramuscular, and intra-articular injections are also administered under certain conditions.. triamcinolone acetonide : A synthetic glucocorticoid that is the 16,17-acetonide of triamcinolone. Used to treat various skin infections. | 2.05 | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone | anti-allergic agent; anti-inflammatory drug |
| isobutyl alcohol isobutyl alcohol: RN given refers to parent cpd | 2.05 | 1 | 0 | alkyl alcohol; primary alcohol | Saccharomyces cerevisiae metabolite |
| 2-butanol 2-butanol: RN given is for parent cpd without isomeric designation. butan-2-ol : A secondary alcohol that is butane substituted by a hydroxy group at position 2. | 2.05 | 1 | 0 | secondary alcohol | |
| propionamide [no description available] | 1.95 | 1 | 0 | monocarboxylic acid amide; primary fatty amide | |
| tetrabromobisphenol a tetrabromobisphenol A: a brominated flame retardant. 3,3',5,5'-tetrabromobisphenol A : A bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant. | 2.02 | 1 | 0 | brominated flame retardant; bromobisphenol | |
| bisphenol a 4,4'-isopropylidene diphenol: stimulates proliferative responses and cytokine productions of murine spleen cells and thymus cells in vitro. bisphenol : By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom.. bisphenol A : A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups. | 2.02 | 1 | 0 | bisphenol | endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen |
| p-tert-amylphenol p-tert-amylphenol: RN given refers to parent cpd | 2.05 | 1 | 0 | alkylbenzene | |
| dehydrocholic acid Dehydrocholic Acid: A semisynthetic bile acid made from cholic acid. It is used as a cholagogue, hydrocholeretic, diuretic, and as a diagnostic aid.. 3,7,12-trioxo-5beta-cholanic acid : An oxo-5beta-cholanic acid in which three oxo substituents are located at positions 3, 7 and 12 on the cholanic acid skeleton. | 2.05 | 1 | 0 | 12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid | gastrointestinal drug |
| carbazole carbazole: structure in first source | 2.05 | 1 | 0 | carbazole | |
| 2-tert-butylphenol [no description available] | 2.02 | 1 | 0 | alkylbenzene | |
| 2,6-di-tert-butyl-4-hydroxymethylphenol 2,6-di-tert-butyl-4-hydroxymethylphenol: structure given in first source | 2.02 | 1 | 0 | alkylbenzene | |
| 2-isopropylphenol 2-isopropylphenol: structure given in first source. 2-isopropylphenol : A member of the class of phenols carrying an isopropyl group at position 2. | 2.02 | 1 | 0 | phenols | |
| 2-nitrophenol nitrophenol : Any member of the class of phenols or substituted phenols carrying at least 1 nitro group. | 2.02 | 1 | 0 | 2-nitrophenols | |
| 2-ethylphenol 2-ethylphenol: structure in first source | 2.02 | 1 | 0 | phenols | |
| pyrogallol 1,3-dimethyl ether pyrogallol 1,3-dimethyl ether: structure. 2,6-dimethoxyphenol : A member of the class of phenols that is phenol substituted by methoxy groups at positions 2 and 6. | 2.02 | 1 | 0 | dimethoxybenzene; phenols | plant metabolite |
| quinoline [no description available] | 2.05 | 1 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines | |
| xanthenes Xanthenes: Compounds with three aromatic rings in linear arrangement with an OXYGEN in the center ring. | 2.05 | 1 | 0 | xanthene | |
| phenothiazine 10H-phenothiazine : The 10H-tautomer of phenothiazine. | 2.05 | 1 | 0 | phenothiazine | ferroptosis inhibitor; plant metabolite; radical scavenger |
| thianthrene thianthrene: in its electron deficient state, effects formation of high-energy phosphate bonds in process of oxidative phosphorylation; structure. thianthrene : The organosulfur heterocyclic compound that is the parent compound of the thianthrenes, a tricyclic structure comprising two benzene rings fused to the b and e sides of 1,4-dithin. | 2.05 | 1 | 0 | mancude organic heterotricyclic parent; organosulfur heterocyclic compound; thianthrenes | |
| benzidine benzidine: RN given refers to parent cpd. benzidine : A member of the class of biphenyls that is 1,1'-biphenyl in which the hydrogen at the para-position of each phenyl group has been replaced by an amino group. | 2.05 | 1 | 0 | biphenyls; substituted aniline | carcinogenic agent |
| methyl benzoate methyl benzoate : A benzoate ester obtained by condensation of benzoic acid and methanol. | 2.05 | 1 | 0 | benzoate ester; methyl ester | insect attractant; metabolite |
| ethyl benzoate ethyl benzoate : A benzoate ester obtained by condensation of benzoic acid and ethanol. It is a volatile oil component found in ripe kiwifruit, cranberry juice, and palm kernel oil. | 2.05 | 1 | 0 | benzoate ester; ethyl ester | flavouring agent; fragrance; volatile oil component |
| butylparaben [no description available] | 2.05 | 1 | 0 | organic molecular entity | |
| benzothiophene [no description available] | 2.05 | 1 | 0 | 1-benzothiophenes; benzothiophene | |
| benzothiazole benzothiazole: structure. benzothiazole : An organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles. | 2.05 | 1 | 0 | benzothiazoles | environmental contaminant; plant metabolite; xenobiotic |
| 2-bromophenol bromophenol : A halophenol that is any phenol containing one or more covalently bonded bromine atoms. | 3.59 | 9 | 0 | bromophenol | marine metabolite |
| 2-chlorophenol chlorophenol : A halophenol that is any phenol containing one or more covalently bonded chlorine atoms. | 2.02 | 1 | 0 | 2-halophenol; monochlorophenol | |
| 2-amino-4-methylphenol 2-amino-4-methylphenol: structure in first source | 2.02 | 1 | 0 | ||
| cyclopentanol [no description available] | 2.05 | 1 | 0 | cyclopentanols | |
| 2,4-di-tert-butylphenol 2,4-di-tert-butylphenol: structure given in first source. 2,4-di-tert-butylphenol : A member of the class of phenols carrying two tert-butyl substituents at positions 2 and 4. | 2.02 | 1 | 0 | alkylbenzene; phenols | antioxidant; bacterial metabolite; marine metabolite |
| benzenesulfonamide [no description available] | 1.95 | 1 | 0 | sulfonamide | |
| 3-trifluoromethylphenol 3-trifluoromethylphenol: structure in first source | 1.95 | 1 | 0 | (trifluoromethyl)benzenes | |
| butylphen butylphen: irritant; structure. 4-tert-butylphenol : A member of the class of phenols that is phenol substituted with a tert-butyl group at position 4. | 2.44 | 2 | 0 | phenols | allergen |
| acetophenone acetophenone : A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group. | 2.38 | 2 | 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. | 2.38 | 2 | 0 | nitroarene; nitrobenzenes | |
| 3-dimethylaminophenol [no description available] | 2.02 | 1 | 0 | ||
| 4-isopropylphenol [no description available] | 2.05 | 1 | 0 | phenols | flavouring agent |
| 4-hydroxyacetophenone 4-hydroxyacetophenone: promotes secretion of bile & bile salts, which promotes griseofulvin absorption in the duodenum. 4'-hydroxyacetophenone : A monohydroxyacetophenone carrying a hydroxy substituent at position 4'. | 2.44 | 2 | 0 | monohydroxyacetophenone | fungal metabolite; mouse metabolite; plant metabolite |
| 4-chloronitrobenzene [no description available] | 2.05 | 1 | 0 | C-nitro compound | |
| 4-nitroaniline [no description available] | 2.05 | 1 | 0 | nitroaniline | bacterial xenobiotic metabolite |
| ethylbenzene [no description available] | 2.38 | 2 | 0 | alkylbenzene | |
| benzyl chloride benzyl chloride: RN given refers to unlabeled cpd. chlorophenylmethane : A chlorohydrocarbon that is phenylmethane substituted by a chloro group at unspecified position.. benzyl chloride : A member of the class of benzyl chlorides that is toluene substituted on the alpha-carbon with chlorine. | 2.05 | 1 | 0 | benzyl chlorides | |
| 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. | 2.38 | 2 | 0 | benzenes; nitrile | |
| methylaniline methylaniline: RN given refers to parent cpd. methylaniline : A substituted aniline carrying one or more methyl groups at unspecified positions. | 2.05 | 1 | 0 | methylaniline; phenylalkylamine; secondary amine | |
| anisole anisole : A monomethoxybenzene that is benzene substituted by a methoxy group. | 2.38 | 2 | 0 | monomethoxybenzene | plant metabolite |
| phenetole phenetole : An aromatic ether in which the ether oxygen is bonded to an ethyl and a phenyl group. | 2.38 | 2 | 0 | aromatic ether | |
| n-benzyl-n,n-dimethylamine [no description available] | 1.95 | 1 | 0 | ||
| 2,4-dimethylphenol 2,4-dimethylphenol: RN given refers to parent cpd. 2,4-xylenol : A member of the class of phenols that phenol substituted by methyl groups at positions 2 and 4. | 2.02 | 1 | 0 | aromatic fungicide; phenols | disinfectant; volatile oil component |
| 1,4-dibromobenzene [no description available] | 2.05 | 1 | 0 | dibromobenzene | |
| 4-bromophenol 4-bromophenol : A bromophenol containing only hydroxy and bromo substituents that are para to one another. | 3.93 | 13 | 0 | bromophenol | human urinary metabolite; human xenobiotic metabolite; marine metabolite; mouse metabolite; persistent organic pollutant; rat metabolite |
| 4-xylene p-xylene : A xylene with methyl groups at positions 1 and 4. | 2.05 | 1 | 0 | xylene | |
| isobutylmethylcarbinol isobutylmethylcarbinol: RN given refers to cpd without isomeric designation | 2.05 | 1 | 0 | ||
| 3-chlorophenol 3-chlorophenol : A monochlorophenol carrying the chloro substituent at position 3. | 2.68 | 3 | 0 | monochlorophenol | |
| bromobenzene [no description available] | 3.22 | 6 | 0 | bromoarene; bromobenzenes; volatile organic compound | hepatotoxic agent; mouse metabolite; non-polar solvent |
| chlorobenzene [no description available] | 1.95 | 1 | 0 | monochlorobenzenes | solvent |
| cyclohexanol Cyclohexanols: Monohydroxy derivatives of cyclohexanes that contain the general formula R-C6H11O. They have a camphorlike odor and are used in making soaps, insecticides, germicides, dry cleaning, and plasticizers.. cyclohexanols : An alcohol in which one or more hydroxy groups are attached to a cyclohexane skeleton. | 2.05 | 1 | 0 | cyclohexanols; secondary alcohol | solvent |
| thiophenol thiophenol : A thiol in which the sulfanyl group is attached to a phenyl group. | 1.98 | 1 | 0 | aryl thiol | |
| 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 |
| methyl cellosolve methyl cellosolve: widely used industrial solvent for resins, lacquers, dyes & inks; may cause anemia macrocytosis, appearance of young granulocytes in blood; RN given refers to parent cpd | 2.05 | 1 | 0 | glycol ether | protic solvent; solvent |
| diethylamine [no description available] | 2.05 | 1 | 0 | secondary aliphatic 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 |
| 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). | 2.38 | 2 | 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. | 2.38 | 2 | 0 | hexanol; primary alcohol | alarm pheromone; antibacterial agent; fragrance; plant metabolite |
| 1,5-pentanediol [no description available] | 2.38 | 2 | 0 | primary alcohol | |
| heptanol Heptanol: A colorless liquid with a fragrant odor. It is used as an intermediate, solvent and in cosmetics.. heptanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of seven carbon atoms.. heptan-1-ol : A primary alcohol that is heptane substituted by a hydroxy group at position 1. It has been isolated from Capillipedium parviflorum. | 2.05 | 1 | 0 | heptanol; primary alcohol | flavouring agent; fragrance; gap junctional intercellular communication inhibitor; plant metabolite |
| mephobarbital Mephobarbital: A barbiturate that is metabolized to PHENOBARBITAL. It has been used for similar purposes, especially in EPILEPSY, but there is no evidence mephobarbital offers any advantage over PHENOBARBITAL.. mephobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by ethyl and phenyl groups. | 2.05 | 1 | 0 | barbiturates | anticonvulsant |
| ethyl-p-hydroxybenzoate ethyl-p-hydroxybenzoate: structure | 2.05 | 1 | 0 | ethyl ester; paraben | antifungal agent; antimicrobial food preservative; phytoestrogen; plant metabolite |
| syringaldehyde syringaldehyde: isolated from nonfermented fiber fractions of oat hulls and cottonseed hulls. syringaldehyde : A hydroxybenzaldehyde that is 4-hydroxybenzaldehyde substituted by methoxy groups at positions 3 and 5. Isolated from Pisonia aculeata and Panax japonicus var. major, it exhibits hypoglycemic activity. | 2.02 | 1 | 0 | dimethoxybenzene; hydroxybenzaldehyde | hypoglycemic agent; plant metabolite |
| 2-methylbutanol 2-methylbutanol: fragrance; structure in first source. 2-methylbutan-1-ol : A primary alcohol that is isopentane substituted by a hydroxy group at position 1. | 2.05 | 1 | 0 | alkyl alcohol; primary alcohol | Saccharomyces cerevisiae metabolite |
| p-cresyl acetate [no description available] | 2.05 | 1 | 0 | benzoate ester; phenols | |
| 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. | 2.68 | 3 | 0 | monomethoxybenzene; phenols | |
| mequinol mequinol: depigmenting agent; RN given refers to parent cpd | 2.68 | 3 | 0 | methoxybenzenes; phenols | metabolite |
| phenanthridine phenanthridine : An azaarene that is the 9-aza derivative of phenanthrene. The parent of the class of phenanthridines. | 2.05 | 1 | 0 | azaarene; mancude organic heterotricyclic parent; phenanthridines; polycyclic heteroarene | |
| acridines Acridines: Compounds that include the structure of acridine.. acridine : A polycyclic heteroarene that is anthracene in which one of the central CH groups is replaced by a nitrogen atom. | 2.05 | 1 | 0 | acridines; mancude organic heterotricyclic parent; polycyclic heteroarene | genotoxin |
| carbutamide Carbutamide: A sulfonylurea antidiabetic agent with similar actions and uses to CHLORPROPAMIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p277) | 2.05 | 1 | 0 | benzenes; sulfonamide | |
| 2-fluorophenol fluorophenol : A halophenol that is any phenol containing one or more covalently bonded fluorine atoms. | 2.02 | 1 | 0 | ||
| 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. | 2.68 | 3 | 0 | fluorophenol; monofluorobenzenes | |
| 3-fluorophenol 3-fluorophenol: structure in first source | 2.68 | 3 | 0 | ||
| betamethasone Betamethasone: A glucocorticoid given orally, parenterally, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. Its lack of mineralocorticoid properties makes betamethasone particularly suitable for treating cerebral edema and congenital adrenal hyperplasia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p724) | 2.05 | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent |
| 4-methylcatechol [no description available] | 2.02 | 1 | 0 | methylcatechol | antioxidant; carcinogenic agent; hapten; human metabolite; plant metabolite |
| 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. | 2.38 | 2 | 0 | monofluorobenzenes | NMR chemical shift reference compound |
| 3,3-dimethyl-2-butanol [no description available] | 2.05 | 1 | 0 | ||
| chenodeoxycholic acid Chenodeoxycholic Acid: A bile acid, usually conjugated with either glycine or taurine. It acts as a detergent to solubilize fats for intestinal absorption and is reabsorbed by the small intestine. It is used as cholagogue, a choleretic laxative, and to prevent or dissolve gallstones.. chenodeoxycholic acid : A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively.. chenodeoxycholate : Conjugate base of chenodeoxycholic acid; major species at pH 7.3. | 2.05 | 1 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
| topanol 354 Topanol 354: structure | 2.02 | 1 | 0 | methoxybenzenes; phenols | |
| phloroglucinol dimethyl ether phloroglucinol dimethyl ether: structure | 2.05 | 1 | 0 | methoxybenzenes; phenols | |
| 1,3-propanediol propane-1,3-diol : The simplest member of the class of propane-1,3-diols, consisting of propane in which one hydrogen from each methyl group is substituted by a hydroxy group. A colourless, viscous, water-miscible liquid with a high (210degreeC) boiling point, it is used in the synthesis of certain polymers and as a solvent and antifreeze. | 2.05 | 1 | 0 | propane-1,3-diols | metabolite; protic solvent |
| 2,4,6-trimethylphenol [no description available] | 2.02 | 1 | 0 | hydroxytoluene | |
| 2-iodophenol [no description available] | 2.02 | 1 | 0 | 2-halophenol; iodophenol | |
| phenylacetylene phenylacetylene: can polymerize into DENDRIMERS | 2.05 | 1 | 0 | benzenes | |
| 4-iodophenol [no description available] | 2.68 | 3 | 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 | ||
| 3-nitrophenol [no description available] | 2.38 | 2 | 0 | 3-nitrophenols | |
| 2,6-xylenol [no description available] | 2.02 | 1 | 0 | hydroxytoluene | |
| succinimide succinimide: RN given refers to parent cpd. succinimide : A dicarboximide that is pyrrolidine which is substituted by oxo groups at positions 2 and 5. | 1.95 | 1 | 0 | dicarboximide; pyrrolidinone | |
| 3-aminophenol 3-aminophenol: RN given refers to parent cpd. 3-aminophenol : An aminophenol that is one of three amino derivatives of phenol which has the single amino substituent located meta to the phenolic -OH group. | 2.02 | 1 | 0 | aminophenol | |
| 3,5-dichlorophenol 3,5-dichlorophenol : A dichlorophenol in which the two chloro substituents are located at positions 3 and 5. | 2.05 | 1 | 0 | dichlorophenol | |
| iodobenzene iodobenzene: RN given refers to unlabeled parent cpd | 2.05 | 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 | |
| 2,6-dibromophenol 2,6-dibromophenol : A dibromophenol that is phenol in which both of the hydrogens that are ortho to the phenolic hydroxy group have been replaced by bromines. | 2.02 | 1 | 0 | bromohydrocarbon; dibromophenol | marine metabolite |
| 2-cyanophenol 2-cyanophenol: structure in first source | 2.02 | 1 | 0 | benzenes; nitrile | |
| n,n-dimethylbenzamide [no description available] | 1.95 | 1 | 0 | ||
| 2,4-dibromophenol 2,4-dibromophenol : A bromophenol that is phenol in which the hydrogens at positions 2 and 4 have been replaced by bromines. | 2.02 | 1 | 0 | brominated flame retardant; bromophenol; dibromobenzene | marine metabolite |
| 3-isopropylphenol 3-isopropylphenol: RN given refers to parent cpd | 2.05 | 1 | 0 | ||
| 3-ethylphenol [no description available] | 2.44 | 2 | 0 | phenols | |
| 3-hydroxyacetanilide metacetamol : A derivative of phenol which has an acetamido substituent located meta to the phenolic -OH group. It is a non-toxic regioisomer of paracetamol with analgesic properties, but has never been marketed as a drug. | 2.02 | 1 | 0 | acetamides; phenols | non-narcotic analgesic |
| 4-Ethoxyphenol [no description available] | 2.44 | 2 | 0 | aromatic ether; phenols | |
| 2-hexanol hexan-2-ol : A hexanol in which the hydroxy group is at position 2. | 2.05 | 1 | 0 | hexanol; secondary alcohol | human metabolite; plant metabolite; semiochemical |
| hexamethylene glycol hexane-1,6-diol : A diol that is hexane substituted by hydroxy groups at positions 1 and 6. | 2.38 | 2 | 0 | diol; primary alcohol | |
| 2-propylphenol 2-propylphenol : A member of the class of phenols that is phenol which is substituted by a propyl group at position 2. | 2.02 | 1 | 0 | phenols | flavouring agent; plant metabolite |
| 4-propylphenol 4-propylphenol: structure given in first source | 2.44 | 2 | 0 | alkylbenzene | |
| 2,4,6-tri-tert-butylphenol [no description available] | 2.02 | 1 | 0 | ||
| 4-cyanophenol 4-cyanophenol: reversible monoamine oxidase inhibitor | 2.02 | 1 | 0 | phenols | EC 1.4.3.4 (monoamine oxidase) inhibitor |
| 4-nitrophenyl acetate [no description available] | 2.05 | 1 | 0 | C-nitro compound; phenyl acetates | |
| 4-phenoxyphenol [no description available] | 2.02 | 1 | 0 | phenoxyphenol | |
| 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-n-Butylphenol [no description available] | 2.44 | 2 | 0 | phenols | |
| 4-octylphenol 4-octylphenol: xenoestrogen. 4-octylphenol : A member of the class of phenols that is phenol which is substituted at the para- position by an octyl group. | 2.02 | 1 | 0 | phenols | metabolite; surfactant; xenoestrogen |
| 4-hydroxyphenoxyacetic acid [no description available] | 1.95 | 1 | 0 | monocarboxylic acid | |
| 2-tert-butyl-4-methylphenol 2-tert-butyl-4-methylphenol: RN given refers to cpd with locants | 2.02 | 1 | 0 | ||
| acetosyringone acetosyringone: plant inducer which induces expression of VirE & VirG in A. tumefaciens. acetosyringone : A member of the class of acetophenones that is 1-phenylethanone substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5. | 2.02 | 1 | 0 | acetophenones; dimethoxybenzene; phenols | anti-asthmatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite |
| 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 |
| sulfamethomidine sulfamethomidine: structure given in first source | 2.05 | 1 | 0 | organic molecular entity | |
| 2-octanol 2-octanol: RN given refers to cpd without isomeric designation. octan-2-ol : An octanol carrying the hydroxy group at position 2. | 2.05 | 1 | 0 | octanol; secondary alcohol | plant metabolite; volatile oil component |
| mercuric chloride Mercuric Chloride: Mercury chloride (HgCl2). A highly toxic compound that volatizes slightly at ordinary temperature and appreciably at 100 degrees C. It is corrosive to mucous membranes and used as a topical antiseptic and disinfectant.. mercury dichloride : A mercury coordination entity made up of linear triatomic molecules in which a mercury atom is bonded to two chlorines. Water-soluble, it is highly toxic. Once used in a wide variety of applications, including preserving wood and anatomical specimens, embalming and disinfecting, as an intensifier in photography, as a mordant for rabbit and beaver furs, and freeing gold from lead, its use has markedly declined as less toxic alternatives have been developed. | 1.96 | 1 | 0 | mercury coordination entity | sensitiser |
| bromine Bromine: A halogen with the atomic symbol Br, atomic number 35, and atomic weight 79.904. It is a volatile reddish-brown liquid that gives off suffocating vapors, is corrosive to the skin, and may cause severe gastroenteritis if ingested. | 2.08 | 1 | 0 | diatomic bromine | |
| butylated hydroxyanisole [no description available] | 2.02 | 1 | 0 | ||
| hydrocortisone-17-butyrate cortisol 17-butyrate : Cortisol esterified with butyric acid at the 17-hydroxy group. | 2.05 | 1 | 0 | butyrate ester; cortisol ester; primary alpha-hydroxy ketone | dermatologic drug; drug allergen |
| 4-n-Pentylphenol [no description available] | 2.44 | 2 | 0 | phenols | |
| 4-bromocatechol 4-bromocatechol: metabolite of bromobenzene | 2.37 | 2 | 0 | catechols | |
| 4-ethylphenol 4-ethylphenol: RN given refers to parent cpd. 4-ethylphenol : A member of the class of phenols carrying an ethyl substituent at position 4. | 2.44 | 2 | 0 | phenols | fungal xenobiotic metabolite |
| isopentyl alcohol isopentyl alcohol: RN given refers to unlabeled parent cpd. isoamylol : An primary alcohol that is butan-1-ol in which a hydrogen at position 3 has been replaced by a methyl group. | 2.05 | 1 | 0 | alkyl alcohol; primary alcohol; volatile organic compound | antifungal agent; Saccharomyces cerevisiae metabolite; xenobiotic 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 |
| triamcinolone Triamcinolone: A glucocorticoid given, as the free alcohol or in esterified form, orally, intramuscularly, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. (From Martindale, The Extra Pharmacopoeia, 30th ed, p739). triamcinolone : A C21-steroid hormone that is 1,4-pregnadiene-3,20-dione carrying four hydroxy substituents at positions 11beta, 16alpha, 17alpha and 21 as well as a fluoro substituent at position 9. Used in the form of its 16,17-acetonide to treat various skin infections. | 2.05 | 1 | 0 | 11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-allergic agent; anti-inflammatory drug |
| ursodeoxycholic acid Ursodeoxycholic Acid: An epimer of chenodeoxycholic acid. It is a mammalian bile acid found first in the bear and is apparently either a precursor or a product of chenodeoxycholate. Its administration changes the composition of bile and may dissolve gallstones. It is used as a cholagogue and choleretic.. ursodeoxycholic acid : A bile acid found in the bile of bears (Ursidae) as a conjugate with taurine. Used therapeutically, it prevents the synthesis and absorption of cholesterol and can lead to the dissolution of gallstones.. ursodeoxycholate : A bile acid anion that is the conjugate base of ursodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. | 2.05 | 1 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
| butylated hydroxytoluene 2,6-di-tert-butyl-4-methylphenol : A member of the class of phenols that is 4-methylphenol substituted by tert-butyl groups at positions 2 and 6. | 2.02 | 1 | 0 | phenols | antioxidant; ferroptosis inhibitor; food additive; geroprotector |
| 2,6-di-tert-butylphenol 2,6-di-tert-butylphenol: RN given refers to parent cpd. 2,6-di-tert-butylphenol : A member of the class of phenols carrying two tert-butyl substituents at positions 2 and 6. | 2.02 | 1 | 0 | alkylbenzene; phenols | antioxidant |
| progabide progabide: GABA agonist; structure | 2.05 | 1 | 0 | diarylmethane | |
| 1-n-butylimidazole [no description available] | 2.05 | 1 | 0 | ||
| 4-hydroxybenzamide [no description available] | 2.02 | 1 | 0 | ||
| guaethol [no description available] | 2.02 | 1 | 0 | aromatic ether; phenols; volatile organic compound | flavouring agent |
| 4-chlorobenzenesulfonamide [no description available] | 1.95 | 1 | 0 | sulfonamide | |
| phenoxazine phenoxazine: RN given refers to 10H-phenoxazine. 10H-phenoxazine : A member of the class of phenoxazines that is morpholine which is ortho-fused to two benzene rings at positions 2-3 and 5-6. | 2.05 | 1 | 0 | phenoxazine | ferroptosis inhibitor; radical scavenger |
| cresatin [no description available] | 2.05 | 1 | 0 | benzoate ester; phenols | |
| 2-bromohydroquinone 2-bromohydroquinone: metabolite of bromobenzene & 2-bromophenol; structure given in first source | 2.37 | 2 | 0 | ||
| 3-propylphenol 3-propylphenol: insect bait; RN from File CHEMID | 2.05 | 1 | 0 | ||
| 4-bromobenzenesulfonamide 4-bromobenzenesulfonamide: a metabolite of ebrotidine | 1.95 | 1 | 0 | ||
| 2,6-di-tert-butyl-4-nitrophenol 2,6-di-tert-butyl-4-nitrophenol: has been reported as a potential contaminant in submarines | 2.02 | 1 | 0 | ||
| 3,5-di-tert-butyl-4-hydroxybenzaldehyde 3,5-di-tert-butyl-4-hydroxybenzaldehyde: structure in first source | 2.02 | 1 | 0 | hydroxybenzaldehyde | |
| cyclobutanol cyclobutanol: structure in first source | 2.05 | 1 | 0 | ||
| 1-benzylimidazole 1-benzylimidazole: inhibits human thromboxane synthetase | 2.05 | 1 | 0 | ||
| triflumizol triflumizol: structure given in first source. triflumizole : A carboxamidine resulting from the formal condensation of the amino group of 4-chloro-2-(trifluoromethyl)aniline with the oxygen of the acetyl group of N-(propoxyacetyl)imidazole. A sterol demethylation inhibitor, it is used as a fungicide for the control of powdery mildew, scab and other diseases on a variety of crops. | 2.05 | 1 | 0 | ||
| 1-adamantaneacetic acid [no description available] | 2.05 | 1 | 0 | ||
| cholic acid Cholic Acid: A major primary bile acid produced in the liver and usually conjugated with glycine or taurine. It facilitates fat absorption and cholesterol excretion.. cholic acid : A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12. | 2.05 | 1 | 0 | 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
| cortisone [no description available] | 2.05 | 1 | 0 | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
| ouabain Ouabain: A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like DIGITALIS. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-EXCHANGING ATPASE.. cardiac glycoside : Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles.. ouabain : A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus. | 1.96 | 1 | 0 | 11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone | anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite |
| griseofulvin Griseofulvin: An antifungal agent used in the treatment of TINEA infections.. griseofulvin : An oxaspiro compound produced by Penicillium griseofulvum. It is used by mouth as an antifungal drug for infections involving the scalp, hair, nails and skin that do not respond to topical treatment. | 2.05 | 1 | 0 | 1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound | antibacterial agent; Penicillium metabolite |
| equilenin Equilenin: An estrogenic steroid produced by HORSES. It has a total of five double bonds in the A- and B-ring. High concentration of equilenin is found in the URINE of pregnant mares.. equilenin : A 3-hydroxy steroid that is estrone which carries two double bonds at positions 6 and 8. It is found in the urine of pregnant mare's and extensively used for estrogen replacement therapy in postmenopausal women. | 2.02 | 1 | 0 | 17-oxo steroid; 3-hydroxy steroid | antioxidant; mammalian metabolite |
| alpha-cyclodextrin alpha-cyclodextrin : A cycloamylose composed of six alpha-(1->4) linked D-glucopyranose units. | 2 | 1 | 0 | cyclodextrin | |
| 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. | 2.02 | 1 | 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 |
| 3-coumaric acid 3-coumaric acid: RN given refers to cpd without isomeric designation in Chemline. trans-3-coumaric acid : A 3-coumaric acid that is phenol substituted with trans-2-propenoic acid at position C-3.. 3-coumaric acid : A monohydroxycinnamic acid in which the hydroxy substituent is located at C-3 of the phenyl ring. | 2.05 | 1 | 0 | 3-coumaric acid | |
| trans-4-coumaric acid hydroxycinnamic acid : Any member of the class of cinnamic acids carrying one or more hydroxy substituents.. trans-4-coumaric acid : The trans-isomer of 4-coumaric acid.. 4-coumaric acid : A coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring. | 2.05 | 1 | 0 | 4-coumaric acid | food component; mouse metabolite; plant metabolite |
| 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 |
| cinnarizine Cinnarizine: A piperazine derivative having histamine H1-receptor and calcium-channel blocking activity with vasodilating and antiemetic properties but it induces PARKINSONIAN DISORDERS. | 2.05 | 1 | 0 | diarylmethane; N-alkylpiperazine; olefinic compound | anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist |
| thiopental Thiopental: A barbiturate that is administered intravenously for the induction of general anesthesia or for the production of complete anesthesia of short duration.. thiopental : A barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups. | 2.05 | 1 | 0 | barbiturates | anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic |
| 2-amino-4-nitrophenol [no description available] | 2.02 | 1 | 0 | 4-nitrophenols | |
| dinoprostone prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins. | 2.05 | 1 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
| sinapaldehyde sinapyl aldehyde: structure in first source. (E)-sinapaldehyde : A member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5. | 2.02 | 1 | 0 | cinnamaldehydes; dimethoxybenzene; phenols | antifungal agent; plant metabolite |
| epoprostenol [no description available] | 2.05 | 1 | 0 | prostaglandins I | mouse metabolite |
| 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. | 1.98 | 1 | 0 | cysteinium | fundamental metabolite |
| ic 86621 1-(2-hydroxy-4-morpholin-4-ylphenyl)ethanone: a DNA-dependent protein kinase inhibitor | 2.07 | 1 | 0 | aromatic ketone | |
| nystatin a1 Nystatin: Macrolide antifungal antibiotic complex produced by Streptomyces noursei, S. aureus, and other Streptomyces species. The biologically active components of the complex are nystatin A1, A2, and A3.. nystatin : A heterogeneous mixture of polyene compounds produced by cultures of Streptomyces noursei. It mainly consists of three biologically active components designated nystatin A1, nystatin A2, and nystatin A3. It is used to treat oral and dermal fungal infections.. nystatin A1 : A polyene macrolide antibiotic; part of the nystatin complex produced by several Streptomyces species. It is an antifungal antibiotic used for the treatment of topical fungal infections caused by a broad spectrum of fungal pathogens comprising yeast-like and filamentous species. | 1.96 | 1 | 0 | nystatins |
| Condition | Indicated | Relationship Strength | Studies | Trials |
|---|---|---|---|---|
| Kidney Diseases Pathological processes of the KIDNEY or its component tissues. | 0 | 1.96 | 1 | 0 |
| Acute Liver Injury, Drug-Induced [description not available] | 0 | 1.96 | 1 | 0 |
| Chemical and Drug Induced Liver Injury A spectrum of clinical liver diseases ranging from mild biochemical abnormalities to ACUTE LIVER FAILURE, caused by drugs, drug metabolites, herbal and dietary supplements and chemicals from the environment. | 0 | 1.96 | 1 | 0 |