propargyl alcohol: irreversibly inactivates alcohol oxidase; RN given refers to parent cpd [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
prop-2-yn-1-ol : A terminal acetylenic compound that is prop-2-yne substituted by a hydroxy group at position 1. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]
| ID Source | ID |
|---|---|
| PubMed CID | 7859 |
| CHEMBL ID | 1563026 |
| CHEBI ID | 28905 |
| MeSH ID | M0091127 |
| Synonym |
|---|
| acetylenylcarbinol |
| CHEBI:28905 , |
| acetylene carbinol |
| ethynylmethanol |
| nsc8804 |
| wln: q2uu1 |
| nsc-8804 |
| ethynyl carbinol |
| methanol, ethynyl- |
| inchi=1/c3h4o/c1-2-3-4/h1,4h,3h |
| NCGC00091559-01 |
| rcra waste no. p102 |
| agrisynth pa |
| brn 0506003 |
| ccris 6781 |
| na1986 |
| nsc 8804 |
| hsdb 6054 |
| ai3-24359 |
| rcra waste number p102 |
| propiolic alcohol |
| einecs 203-471-2 |
| prop-2-in-1-ol |
| 2-propynyl alcohol |
| 1-hydroxy-2-propyne |
| propargyl alcohol |
| prop-2-yne-1-ol |
| 1-propyn-3-ol |
| 2-propyn-1-ol |
| ethynylcarbinol |
| prop-2-yn-1-ol |
| 1-propyn-3-yl alcohol |
| 2-propynol |
| 3-hydroxy-1-propyne |
| 3-propynol |
| na 1986 |
| 107-19-7 |
| propynyl alcohol |
| C05986 |
| propargyl alcohol, 99% |
| AKOS000118737 |
| BMSE000363 |
| propargyl alcohol [na1986] [flammable liquid] |
| P0536 |
| NCGC00091559-02 |
| 2-propyne-1-ol |
| 4-01-00-02214 (beilstein handbook reference) |
| unii-e920vf499l |
| ec 203-471-2 |
| e920vf499l , |
| cas-107-19-7 |
| dtxsid5021883 , |
| tox21_200976 |
| NCGC00258529-01 |
| dtxcid301883 |
| BBL011350 |
| STL146440 |
| BP-30161 |
| propargyl alcohol [hsdb] |
| propargyl alcohol [mi] |
| propargylalcohol |
| propyn-3-ol |
| prop-2-ynol |
| prop-2-yn-i-ol |
| prop-1-yn-3-ol |
| 2-propyn-1 ol |
| CHEMBL1563026 |
| Q-201629 |
| 1-propyne-3-ol |
| hc.$.cch2oh |
| F0001-0140 |
| mfcd00002912 |
| Q903345 |
| EN300-19326 |
Propargyl alcohol is a commercially available acetylenic primary alcohol. It is a high production volume chemical used in synthesis of many industrial chemicals and agricultural products.
| Excerpt | Reference | Relevance |
|---|---|---|
| "Propargyl alcohol (PA) is a high production volume chemical used in synthesis of many industrial chemicals and agricultural products. " | ( Evaluation of propargyl alcohol toxicity and carcinogenicity in F344/N rats and B6C3F1/N mice following whole-body inhalation exposure. Dill, JA; Flake, GP; Grumbein, SL; Harbo, SJ; Hooth, MJ; Thakur, SA; Travlos, GS, 2013) | 2.19 |
| "Propargyl alcohol is a commercially available acetylenic primary alcohol. " | ( Toxicology and carcinogenesis studies of propargyl alcohol (CAS No. 107-19-7) in F344/N rats and B6C3F1 mice (inhalation studies). , 2008) | 2.05 |
| Excerpt | Reference | Relevance |
|---|---|---|
| " The oral LD50 was calculated by the probit method (Finney, 1971) as 110 (100-120) mg/kg for male rats and 55 (50-60) mg/kg for female rats." | ( Acute oral toxicity as LD50 (mg/kg) of propargyl alcohol to male and female rats. Archer, TE, 1985) | 0.54 |
| " The results encourage to consider this alternative way for the prediction of toxicity using QSAR subset models without direct reference to the mechanism of toxic action or the traditional chemical classification." | ( The proposal of architecture for chemical splitting to optimize QSAR models for aquatic toxicity. Benfenati, E; Colombo, A; Karelson, M; Maran, U, 2008) | 0.35 |
| Role | Description |
|---|---|
| Saccharomyces cerevisiae metabolite | Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae). |
| antifungal agent | An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. |
| [role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Class | Description |
|---|---|
| propynol | |
| terminal acetylenic compound | An acetylenic compound which a carbon of the C#C moiety is attached to a hydrogen atom. |
| volatile organic compound | Any organic compound having an initial boiling point less than or equal to 250 degreeC (482 degreeF) measured at a standard atmospheric pressure of 101.3 kPa. |
| [compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| RAR-related orphan receptor gamma | Mus musculus (house mouse) | Potency | 0.1970 | 0.0060 | 38.0041 | 19,952.5996 | AID1159521 |
| aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 22.3872 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
| thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 7.8421 | 0.0016 | 28.0151 | 77.1139 | AID1259385 |
| nuclear factor erythroid 2-related factor 2 isoform 1 | Homo sapiens (human) | Potency | 26.6032 | 0.0006 | 27.2152 | 1,122.0200 | AID651741 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 2 (0.80) | 18.7374 |
| 1990's | 4 (1.59) | 18.2507 |
| 2000's | 101 (40.24) | 29.6817 |
| 2010's | 137 (54.58) | 24.3611 |
| 2020's | 7 (2.79) | 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 very strong demand-to-supply ratio for research on this compound.
| This Compound (56.86) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 2 (0.79%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 251 (99.21%) | 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 |
|---|---|---|---|---|---|
| benzaldehyde [no description available] | 2.08 | 1 | 0 | benzaldehydes | EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite |
| benzene [no description available] | 2.46 | 2 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
| 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. | 2.76 | 3 | 0 | benzyl alcohols | antioxidant; fragrance; metabolite; solvent |
| betaine glycine betaine : The amino acid betaine derived from glycine. | 2.17 | 1 | 0 | amino-acid betaine; glycine derivative | fundamental metabolite |
| bromide Bromides: Salts of hydrobromic acid, HBr, with the bromine atom in the 1- oxidation state. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed) | 2.43 | 2 | 0 | halide anion; monoatomic bromine | |
| 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. | 2.74 | 3 | 0 | alkyl alcohol; primary alcohol; short-chain primary fatty alcohol | human metabolite; mouse metabolite; protic solvent |
| carbamates [no description available] | 2.48 | 2 | 0 | amino-acid anion | |
| carbamic acid carbamic acid : A one-carbon compound that is ammonia in which one of the hydrogens is replaced by a carboxy group. Although carbamic acid derivatives are common, carbamic acid itself has never been synthesised. | 2.11 | 1 | 0 | carbon oxoacid; one-carbon compound; organonitrogen compound | Escherichia coli metabolite |
| methane Methane: The simplest saturated hydrocarbon. It is a colorless, flammable gas, slightly soluble in water. It is one of the chief constituents of natural gas and is formed in the decomposition of organic matter. (Grant & Hackh's Chemical Dictionary, 5th ed). methane : A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161degreeC). | 4.24 | 5 | 0 | alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound | bacterial metabolite; fossil fuel; greenhouse gas |
| chlorine chloride : A halide anion formed when chlorine picks up an electron to form an an anion. | 3.65 | 9 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
| hydrogen sulfide Hydrogen Sulfide: A flammable, poisonous gas with a characteristic odor of rotten eggs. It is used in the manufacture of chemicals, in metallurgy, and as an analytical reagent. (From Merck Index, 11th ed). hydrogen sulfide : A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen.. thiol : An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety. | 2.08 | 1 | 0 | gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride | Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent |
| ethanolamine [no description available] | 2.13 | 1 | 0 | ethanolamines; primary alcohol; primary amine | Escherichia coli metabolite; human metabolite; mouse metabolite |
| hydrogen Hydrogen: The first chemical element in the periodic table with atomic symbol H, and atomic number 1. Protium (atomic weight 1) is by far the most common hydrogen isotope. Hydrogen also exists as the stable isotope DEUTERIUM (atomic weight 2) and the radioactive isotope TRITIUM (atomic weight 3). Hydrogen forms into a diatomic molecule at room temperature and appears as a highly flammable colorless and odorless gas.. dihydrogen : An elemental molecule consisting of two hydrogens joined by a single bond. | 3.31 | 6 | 0 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
| hydroquinone [no description available] | 2.1 | 1 | 0 | benzenediol; hydroquinones | antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent |
| indole [no description available] | 2.1 | 1 | 0 | indole; polycyclic heteroarene | Escherichia coli metabolite |
| iodine Iodine: A nonmetallic element of the halogen group that is represented by the atomic symbol I, atomic number 53, and atomic weight of 126.90. It is a nutritionally essential element, especially important in thyroid hormone synthesis. In solution, it has anti-infective properties and is used topically.. diiodine : Molecule comprising two covalently bonded iodine atoms with overall zero charge.. | 2.97 | 4 | 0 | diatomic iodine | nutrient |
| 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. | 4.26 | 5 | 0 | alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound | amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
| naphthalene [no description available] | 2.06 | 1 | 0 | naphthalenes; ortho-fused bicyclic arene | apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component |
| nickel Nickel: A trace element with the atomic symbol Ni, atomic number 28, and atomic weight 58.69. It is a cofactor of the enzyme UREASE.. nickel ion : A nickel atom having a net electric charge.. nickel atom : Chemical element (nickel group element atom) with atomic number 28. | 2.05 | 1 | 0 | metal allergen; nickel group element atom | epitope; micronutrient |
| nitrites Nitrites: Salts of nitrous acid or compounds containing the group NO2-. The inorganic nitrites of the type MNO2 (where M=metal) are all insoluble, except the alkali nitrites. The organic nitrites may be isomeric, but not identical with the corresponding nitro compounds. (Grant & Hackh's Chemical Dictionary, 5th ed) | 2.06 | 1 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | human metabolite |
| 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. | 2.88 | 4 | 0 | propan-1-ols; short-chain primary fatty alcohol | metabolite; protic solvent |
| pyridine azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'. | 2.03 | 1 | 0 | azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines | environmental contaminant; NMR chemical shift reference compound |
| sulfuric acid sulfuric acid : A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom. | 2.1 | 1 | 0 | sulfur oxoacid | catalyst |
| toluene methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups. | 2.05 | 1 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
| urea pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives. | 2.1 | 1 | 0 | isourea; monocarboxylic acid amide; one-carbon compound | Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| 1-anilino-8-naphthalenesulfonate 1-anilino-8-naphthalenesulfonate: RN given refers to parent cpd. 8-anilinonaphthalene-1-sulfonic acid : A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid substituted by a phenylamino group at position 8. | 4.27 | 5 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
| platinum tetrachloride platinum chloride: RN given refers to cpd with unspecified MF; structure in first source: K2PtCl; see also platinum tetrachloride. platinum dichloride : A platinum coordination entity consisting of platinum(II) bound to two chlorine atoms. | 2.1 | 1 | 0 | platinum coordination entity | catalyst; reagent |
| clotrimazole [no description available] | 2.01 | 1 | 0 | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic |
| dapsone [no description available] | 2.01 | 1 | 0 | substituted aniline; sulfone | anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug |
| 3,3'-diindolylmethane 3,3'-diindolylmethane: anti-inflammatory from edible cruciferous vegetables; a cytochrome P-450 antagonist | 2.1 | 1 | 0 | indoles | antineoplastic agent; P450 inhibitor |
| 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. | 2.31 | 1 | 0 | fluorobiphenyl; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| ketoconazole 1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine : A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by imidazol-1-ylmethyl, 2,4-dichlorophenyl, and [para-(4-acetylpiperazin-1-yl)phenoxy]methyl groups, respectively. | 2.01 | 1 | 0 | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
| netropsin Netropsin: A basic polypeptide isolated from Streptomyces netropsis. It is cytotoxic and its strong, specific binding to A-T areas of DNA is useful to genetics research. | 1.98 | 1 | 0 | ||
| pargyline Pargyline: A monoamine oxidase inhibitor with antihypertensive properties. | 2.94 | 4 | 0 | aromatic amine | |
| sulfoxone sulfoxone: RN given refers to parent cpd | 2.01 | 1 | 0 | sulfonamide | |
| zinc chloride zinc chloride: RN given refers to parent cpd. zinc dichloride : A compound of zinc and chloride ions in the ratio 1:2. It exists in four crystalline forms, in each of which the Zn(2+) ions are trigonal planar coordinated to four chloride ions. | 2.03 | 1 | 0 | inorganic chloride; zinc molecular entity | astringent; disinfectant; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; Lewis acid |
| alanine Alanine: A non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases IMMUNITY, and provides energy for muscle tissue, BRAIN, and the CENTRAL NERVOUS SYSTEM.. alanine : An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2. | 2.42 | 2 | 0 | alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite |
| cyanides Cyanides: Inorganic salts of HYDROGEN CYANIDE containing the -CN radical. The concept also includes isocyanides. It is distinguished from NITRILES, which denotes organic compounds containing the -CN radical.. cyanides : Salts and C-organyl derivatives of hydrogen cyanide, HC#N.. isocyanide : The isomer HN(+)#C(-) of hydrocyanic acid, HC#N, and its hydrocarbyl derivatives RNC (RN(+)#C(-)).. cyanide : A pseudohalide anion that is the conjugate base of hydrogen cyanide. | 2.1 | 1 | 0 | pseudohalide anion | EC 1.9.3.1 (cytochrome c oxidase) inhibitor |
| phenylalanine Phenylalanine: An essential aromatic amino acid that is a precursor of MELANIN; DOPAMINE; noradrenalin (NOREPINEPHRINE), and THYROXINE.. L-phenylalanine : The L-enantiomer of phenylalanine.. phenylalanine : An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group. | 2.21 | 1 | 0 | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid | algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
| colchicine (S)-colchicine : A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions. | 2.05 | 1 | 0 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
| 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. | 2.1 | 1 | 0 | pentanol; short-chain primary fatty alcohol | human metabolite; plant metabolite |
| valine Valine: A branched-chain essential amino acid that has stimulant activity. It promotes muscle growth and tissue repair. It is a precursor in the penicillin biosynthetic pathway.. valine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group.. L-valine : The L-enantiomer of valine. | 2.01 | 1 | 0 | L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
| ethylene Plastipore: high density polyethylene sponge biocompatible material; used as posts in dental bridges | 2.03 | 1 | 0 | alkene; gas molecular entity | plant hormone; refrigerant |
| acetylene [no description available] | 2.44 | 2 | 0 | alkyne; gas molecular entity; terminal acetylenic compound | |
| boranes Boranes: The collective name for the boron hydrides, which are analogous to the alkanes and silanes. Numerous boranes are known. Some have high calorific values and are used in high-energy fuels. (From Grant & Hackh's Chemical Dictionary, 5th ed). borane : The simplest borane, consisting of a single boron atom carrying three hydrogens.. boranes : The molecular hydrides of boron. | 2.08 | 1 | 0 | boranes; mononuclear parent hydride | |
| methylacetylene methylacetylene: structure | 2.03 | 1 | 0 | alkyne; gas molecular entity; terminal acetylenic compound | |
| ethylene oxide Ethylene Oxide: A colorless and flammable gas at room temperature and pressure. Ethylene oxide is a bactericidal, fungicidal, and sporicidal disinfectant. It is effective against most micro-organisms, including viruses. It is used as a fumigant for foodstuffs and textiles and as an agent for the gaseous sterilization of heat-labile pharmaceutical and surgical materials. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p794). oxirane : A saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom. | 2.04 | 1 | 0 | gas molecular entity; oxacycle; saturated organic heteromonocyclic parent | allergen; mouse metabolite; mutagen |
| trichloroacetic acid Trichloroacetic Acid: A strong acid used as a protein precipitant in clinical chemistry and also as a caustic for removing warts.. trichloroacetic acid : A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine. | 2.03 | 1 | 0 | monocarboxylic acid; organochlorine compound | carcinogenic agent; metabolite; mouse metabolite |
| trifluoroacetic acid Trifluoroacetic Acid: A very strong halogenated derivative of acetic acid. It is used in acid catalyzed reactions, especially those where an ester is cleaved in peptide synthesis.. trifluoroacetic acid : A monocarboxylic acid that is the trifluoro derivative of acetic acid. | 2.46 | 2 | 0 | fluoroalkanoic acid | human xenobiotic metabolite; NMR chemical shift reference compound; reagent |
| dichlorodicyanobenzoquinone dichlorodicyanobenzoquinone: request from searcher | 2.04 | 1 | 0 | ||
| phthalide 2-benzofuran-1(3H)-one : A gamma-lactone that is 1,3-dihydro-2-benzofuran in which the hydrogens at position 1 are replaced by an oxo group.. isobenzofuranone : A 2-benzofuran containing one or more oxo groups. | 2.03 | 1 | 0 | 2-benzofurans; gamma-lactone | |
| quinoline [no description available] | 2.08 | 1 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines | |
| benzotriazole benzotriazole: inhibitor of atmospheric metal corrosion; also component of motion picture film & Neva brake fluid. benzotriazole : The simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring. | 1.98 | 1 | 0 | benzotriazoles | environmental contaminant; xenobiotic |
| 4-butyrolactone 4-Butyrolactone: One of the FURANS with a carbonyl thereby forming a cyclic lactone. It is an endogenous compound made from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. It is also used as a pharmacological agent and solvent.. tetrahydrofuranone : Any oxolane having an oxo- substituent at any position on the tetrahydrofuran ring.. gamma-butyrolactone : A butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2. | 2.31 | 1 | 0 | butan-4-olide | metabolite; neurotoxin |
| benzenesulfonic acid benzenesulfonic acid: RN given refers to parent cpd. benzenesulfonic acid : The simplest member of the class of a benzenesulfonic acids that consists of a benzene carrying a single sulfo group. | 2.04 | 1 | 0 | benzenesulfonic acids | |
| propargyl bromide propargyl bromide: structure in first source | 2.01 | 1 | 0 | ||
| allyl alcohol allyl alcohol: structure. allylic alcohol : An alcohol where the hydroxy group is attached to a saturated carbon atom adjacent to a double bond (R groups may be H, organyl, etc.).. allyl alcohol : A propenol in which the C=C bond connects C-2 and C-3. It is has been found in garlic (Allium sativum). Formerly used as a herbicide for the control of various grass and weed seeds. | 4.24 | 5 | 0 | primary allylic alcohol; propenol | antibacterial agent; fungicide; herbicide; insecticide; plant metabolite |
| 2-methylpentane Hexanes: Six-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives. Various polyneuropathies are caused by hexane poisoning. | 2.1 | 1 | 0 | alkane | |
| vinyl acetate [no description available] | 2.1 | 1 | 0 | acetate ester | |
| pyrroles 1H-pyrrole : A tautomer of pyrrole that has the double bonds at positions 2 and 4.. pyrrole : A five-membered monocyclic heteroarene comprising one NH and four CH units which forms the parent compound of the pyrrole group of compounds. Its five-membered ring structure has three tautomers. A 'closed class'.. azole : Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen. | 8.31 | 6 | 0 | pyrrole; secondary amine | |
| furan furan : A monocyclic heteroarene with a structure consisting of a 5-membered ring containing four carbons and one oxygen, with formula C4H4O. It is a toxic, flammable, low-boiling (31degreeC) colourless liquid. | 2.46 | 2 | 0 | furans; mancude organic heteromonocyclic parent; monocyclic heteroarene | carcinogenic agent; hepatotoxic agent; Maillard reaction product |
| thiophenes Thiophenes: A monocyclic heteroarene furan in which the oxygen atom is replaced by a sulfur.. thiophenes : Compounds containing at least one thiophene ring. | 7.05 | 1 | 0 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
| n-hexane hexane : An unbranched alkane containing six carbon atoms. | 2.1 | 1 | 0 | alkane; volatile organic compound | neurotoxin; non-polar solvent |
| 2-butyne-1,4-diol but-2-yne-1,4-diol : A butynediol that is but-2-yne substituted by hydroxy groups at positions 1 and 4. | 1.95 | 1 | 0 | butynediol | |
| nonane iotrochotin: toxin from the Caribbean sponge Iotrochota birotulata, which selectively permeabilizes synaptosomes. nonane : A straight chain alkane composed of 9 carbon atoms. | 2.41 | 1 | 0 | alkane | plant metabolite; volatile oil component |
| 2-methyl-3-butyn-2-ol 2-methyl-3-butyn-2-ol: structure | 2.1 | 1 | 0 | ||
| isoquinoline [no description available] | 2.08 | 1 | 0 | azaarene; isoquinolines; mancude organic heterobicyclic parent; ortho-fused heteroarene | |
| 2-naphthol 2-naphthol: RN given refers to parent cpd. 2-naphthol : A naphthol carrying a hydroxy group at position 2.. naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent. | 2.08 | 1 | 0 | naphthol | antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger |
| aziridine [no description available] | 2.05 | 1 | 0 | azacycloalkane; aziridines; saturated organic heteromonocyclic parent | alkylating agent |
| indazoles Indazoles: A group of heterocyclic aromatic organic compounds consisting of the fusion of BENZENE and PYRAZOLES. | 2.1 | 1 | 0 | indazole | |
| cyclopentane Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution. | 2.04 | 1 | 0 | cycloalkane; cyclopentanes; volatile organic compound | non-polar solvent |
| oxazoles Oxazoles: Five-membered heterocyclic ring structures containing an oxygen in the 1-position and a nitrogen in the 3-position, in distinction from ISOXAZOLES where they are at the 1,2 positions.. 1,3-oxazole : A five-membered monocyclic heteroarene that is an analogue of cyclopentadiene with O in place of CH2 at position 1 and N in place of CH at position 3.. oxazole : An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom. | 2.1 | 1 | 0 | 1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
| thiazoles [no description available] | 2.46 | 2 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
| hydrazine diamine : Any polyamine that contains two amino groups. | 2.48 | 2 | 0 | azane; hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
| propadiene [no description available] | 3.31 | 6 | 0 | allenes | |
| limestone Calcium Carbonate: Carbonic acid calcium salt (CaCO3). An odorless, tasteless powder or crystal that occurs in nature. It is used therapeutically as a phosphate buffer in hemodialysis patients and as a calcium supplement.. calcium carbonate : A calcium salt with formula CCaO3. | 2.05 | 1 | 0 | calcium salt; carbonate salt; inorganic calcium salt; one-carbon compound | antacid; fertilizer; food colouring; food firming agent |
| kainic acid Kainic Acid: (2S-(2 alpha,3 beta,4 beta))-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid. Ascaricide obtained from the red alga Digenea simplex. It is a potent excitatory amino acid agonist at some types of excitatory amino acid receptors and has been used to discriminate among receptor types. Like many excitatory amino acid agonists it can cause neurotoxicity and has been used experimentally for that purpose. | 7.01 | 1 | 0 | dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid | antinematodal drug; excitatory amino acid agonist |
| butenolide butenolide: inhibits experimental allergic encephalomyelitis in rats. butenolide : A gamma-lactone that consists of a 2-furanone skeleton and its substituted derivatives. | 2.31 | 1 | 0 | butenolide | |
| azetidine [no description available] | 2.05 | 1 | 0 | azacycloalkane; azetidines; saturated organic heteromonocyclic parent | |
| cesium carbonate [no description available] | 2.07 | 1 | 0 | ||
| 4-toluenesulfinic acid 4-toluenesulfinic acid: RN given refers to parent cpd | 2.05 | 1 | 0 | ||
| dimethylzinc [no description available] | 2.04 | 1 | 0 | ||
| phenalen-1-one phenalen-1-one: fossil fuel combustion product | 2.06 | 1 | 0 | ||
| diethylzinc [no description available] | 2.04 | 1 | 0 | ||
| propiolaldehyde [no description available] | 7 | 1 | 0 | terminal acetylenic compound; ynal | mouse metabolite |
| 3-butyn-2-ol 3-butyn-2-ol: structure in first source | 2.1 | 1 | 0 | ||
| carbonates Carbonates: Salts or ions of the theoretical carbonic acid, containing the radical CO2(3-). Carbonates are readily decomposed by acids. The carbonates of the alkali metals are water-soluble; all others are insoluble. (From Grant & Hackh's Chemical Dictionary, 5th ed). carbonates : Organooxygen compounds that are salts or esters of carbonic acid, H2CO3. | 2.99 | 4 | 0 | carbon oxoanion | |
| propargyl ether propargyl ether: structure in first source | 7.78 | 3 | 0 | ||
| iridium Iridium: A metallic element with the atomic symbol Ir, atomic number 77, and atomic weight 192.22. | 2.05 | 1 | 0 | cobalt group element atom; platinum group metal atom | |
| lanthanum [no description available] | 2.06 | 1 | 0 | f-block element atom; lanthanoid atom; scandium group element atom | |
| molybdenum Molybdenum: A metallic element with the atomic symbol Mo, atomic number 42, and atomic weight 95.95. It is an essential trace element, being a component of the enzymes xanthine oxidase, aldehyde oxidase, and nitrate reductase. | 3.82 | 3 | 0 | chromium group element atom | micronutrient |
| palladium Palladium: A chemical element having an atomic weight of 106.4, atomic number of 46, and the symbol Pd. It is a white, ductile metal resembling platinum, and following it in abundance and importance of applications. It is used in dentistry in the form of gold, silver, and copper alloys.. palladium : Chemical element (nickel group element atom) with atomic number 46. | 4.14 | 15 | 0 | metal allergen; nickel group element atom; platinum group metal atom | |
| platinum Platinum: A heavy, soft, whitish metal, resembling tin, with atomic number 78, atomic weight 195.084, symbol Pt. It is used in manufacturing equipment for laboratory and industrial use. It occurs as a black powder (platinum black) and as a spongy substance (spongy platinum) and may have been known in Pliny's time as alutiae. | 2.96 | 4 | 0 | elemental platinum; nickel group element atom; platinum group metal atom | |
| rhenium Rhenium: A metal, atomic number 75, atomic weight 186.207, symbol Re. | 2.1 | 1 | 0 | manganese group element atom | |
| rhodium Rhodium: A hard and rare metal of the platinum group, atomic number 45, atomic weight 102.905, symbol Rh.. rhodium atom : A cobalt group element atom of atomic number 45. | 3.77 | 10 | 0 | cobalt group element atom | |
| ruthenium Ruthenium: A hard, brittle, grayish-white rare earth metal with an atomic symbol Ru, atomic number 44, and atomic weight 101.07. It is used as a catalyst and hardener for PLATINUM and PALLADIUM. | 4.44 | 21 | 0 | iron group element atom; platinum group metal atom | |
| samarium Samarium: An element of the rare earth family of metals. It has the atomic symbol Sm, atomic number 62, and atomic weight 150.36. The oxide is used in the control rods of some nuclear reactors. | 2.1 | 1 | 0 | f-block element atom; lanthanoid atom | |
| scandium Scandium: An element of the rare earth family of metals. It has the atomic symbol Sc, atomic number 21, and atomic weight 45. | 7.46 | 2 | 0 | d-block element atom; rare earth metal atom; scandium group element atom | |
| silver Silver: An element with the atomic symbol Ag, atomic number 47, and atomic weight 107.87. It is a soft metal that is used medically in surgical instruments, dental prostheses, and alloys. Long-continued use of silver salts can lead to a form of poisoning known as ARGYRIA. | 4.89 | 10 | 0 | copper group element atom; elemental silver | Escherichia coli metabolite |
| titanium Titanium: A dark-gray, metallic element of widespread distribution but occurring in small amounts with atomic number, 22, atomic weight, 47.867 and symbol, Ti; specific gravity, 4.5; used for fixation of fractures. | 2.01 | 1 | 0 | titanium group element atom | |
| argon Argon: A noble gas with the atomic symbol Ar, atomic number 18, and atomic weight 39.948. It is used in fluorescent tubes and wherever an inert atmosphere is desired and nitrogen cannot be used. | 2.08 | 1 | 0 | monoatomic argon; noble gas atom; p-block element atom | food packaging gas; neuroprotective agent |
| gold Gold: A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts. | 5.47 | 19 | 0 | copper group element atom; elemental gold | |
| vanadium Vanadium: A metallic element with the atomic symbol V, atomic number 23, and atomic weight 50.94. It is used in the manufacture of vanadium steel. Prolonged exposure can lead to chronic intoxication caused by absorption usually via the lungs. | 2.72 | 3 | 0 | elemental vanadium; vanadium group element atom | micronutrient |
| ytterbium Ytterbium: An element of the rare earth family of metals. It has the atomic symbol Yb, atomic number 70, and atomic weight 173. Ytterbium has been used in lasers and as a portable x-ray source. | 2.05 | 1 | 0 | f-block element atom; lanthanoid atom | |
| zirconium Zirconium: A rather rare metallic element with atomic number 40, atomic weight 91.224, and symbol Zr. | 2.44 | 2 | 0 | titanium group element atom | |
| ferric chloride ferric chloride: RN given refers to cpd with MF of Fe-Cl3; used to induce experimental arterial thrombosis to evaluate antithrombotic agents | 3.15 | 5 | 0 | iron coordination entity | astringent; Lewis acid |
| phosphine phosphane : The simplest phosphine, consisting of a single phosphorus atom with three hydrogens attached.. phosphine : Phosphane (PH3) and compounds derived from it by substituting one, two or three hydrogen atoms by hydrocarbyl groups: RPH2, R2PH, R3P (R =/= H) are called primary, secondary and tertiary phosphines, respectively. A specific phosphine is preferably named as a substituted phosphane. | 7.17 | 1 | 0 | mononuclear parent hydride; phosphanes; phosphine | carcinogenic agent; fumigant insecticide |
| 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. | 2.31 | 1 | 0 | diatomic bromine | |
| silver nitrate Silver Nitrate: A silver salt with powerful germicidal activity. It has been used topically to prevent OPHTHALMIA NEONATORUM. | 2.11 | 1 | 0 | inorganic nitrate salt; silver salt | astringent |
| deuterium Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus. | 2.02 | 1 | 0 | dihydrogen | |
| fluorine Fluorine: A nonmetallic, diatomic gas that is a trace element and member of the halogen family. It is used in dentistry as fluoride (FLUORIDES) to prevent dental caries. | 2.06 | 1 | 0 | diatomic fluorine; gas molecular entity | NMR chemical shift reference compound |
| chlorine Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family. | 2.1 | 1 | 0 | diatomic chlorine; gas molecular entity | bleaching agent |
| ammonium bromide ammonium bromide : An ammonium salt composed of ammonium and bromide ions in a 1:1 ratio. | 2.05 | 1 | 0 | ammonium salt; bromide salt | NMR chemical shift reference compound |
| fluorides [no description available] | 2.06 | 1 | 0 | halide anion; monoatomic fluorine | |
| iodine [no description available] | 2 | 1 | 0 | halide anion; monoatomic iodine | human metabolite |
| phenyl acetate phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid. | 2.04 | 1 | 0 | benzenes; phenyl acetates | |
| alkenes [no description available] | 4.44 | 21 | 0 | ||
| azides Azides: Organic or inorganic compounds that contain the -N3 group.. azide : Any nitrogen molecular entity containing the group -N3. | 8.34 | 6 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
| oxovanadium iv oxovanadium IV: forms complexes with simple sugars | 3.16 | 1 | 0 | vanadium oxide | |
| myrtenal myrtenal: RN refers to cpd without isomeric designation; structure given in first source | 2.03 | 1 | 0 | ||
| trichloroacetamide [no description available] | 2.03 | 1 | 0 | ||
| nitroaniline nitroaniline: RN given refers to cpd with unspecified locant for nitro moiety. nitroaniline : A substituted aniline that carries one or more nitro groups. | 1.98 | 1 | 0 | ||
| 3-n-butylphthalide 3-n-butylphthalide: isolated from phenolic part of Ligusticum wallichii Franch; structure given in first source | 2.06 | 1 | 0 | benzofurans | |
| vanadates Vanadates: Oxyvanadium ions in various states of oxidation. They act primarily as ion transport inhibitors due to their inhibition of Na(+)-, K(+)-, and Ca(+)-ATPase transport systems. They also have insulin-like action, positive inotropic action on cardiac ventricular muscle, and other metabolic effects.. vanadate(3-) : A vanadium oxoanion that is a trianion with formula VO4 in which the vanadium is in the +5 oxidation state and is attached to four oxygen atoms. | 3.16 | 1 | 0 | trivalent inorganic anion; vanadium oxoanion | EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor |
| trifluoromethanesulfonic acid trifluoromethanesulfonic acid: deblocking reagent for peptide synthesis; RN given refers to parent cpd. triflic acid : A one-carbon compound that is methanesulfonic acid in which the hydrogens attached to the methyl carbon have been replaced by fluorines. | 2.78 | 3 | 0 | one-carbon compound; perfluoroalkanesulfonic acid | |
| disparlure disparlure: RN given refers to cpd without isomeric designation | 2.02 | 1 | 0 | epoxide | |
| glucose, (beta-d)-isomer beta-D-glucose : D-Glucopyranose with beta configuration at the anomeric centre.. (1->4)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->4) linkages.. (1->3)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->3) linkages. | 2.04 | 1 | 0 | D-glucopyranose | epitope; mouse metabolite |
| thiamorpholine thiamorpholine: RN given refers to parent cpd. thiomorpholine : A saturated organic heteromonocyclic parent that is an analogue of morpholine where the oxygen atom is replaced by sulfur. | 2.03 | 1 | 0 | saturated organic heteromonocyclic parent; thiomorpholines | |
| 1,7-phenanthroline [no description available] | 2.1 | 1 | 0 | phenanthroline | |
| triazoles Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms. | 8.56 | 8 | 0 | 1,2,3-triazole | |
| isocoumarins Isocoumarins: Compounds that differ from COUMARINS in having the positions of the ring and ketone oxygens reversed so the keto oxygen is at the 1-position of the molecule.. isocoumarin : The simplest member of the class of isocoumarins that is 1H-isochromene which is substituted by an oxo group at position 1. | 2.08 | 1 | 0 | isocoumarins | |
| 1,2,3,4-tetrahydroquinoline 1,2,3,4-tetrahydroquinoline: structure in first source. 1,2,3,4-tetrahydroquinoline : A member of the class of quinolines that is the 1,2,3,4-tetrahydro derivative of quinoline. | 2.07 | 1 | 0 | quinolines | |
| tetrakis(dimethylamino)ethylene tetrakis(dimethylamino)ethylene: structure in first source | 2.08 | 1 | 0 | ||
| 2,3-dihydrofuran dihydrofuran : Compounds containing a mono-unsaturated furan ring skeleton. | 2.04 | 1 | 0 | dihydrofuran | |
| indenolol indenolol: RN given refers to parent cpd without isomeric designation; structure | 2.05 | 1 | 0 | ||
| oxazolidin-2-one Oxazolidinones: Derivatives of oxazolidin-2-one. They represent an important class of synthetic antibiotic agents.. oxazolidin-2-one : An oxazolidinone that is 1,3-oxazolidine with an oxo substituent at position 2.. oxazolidinone : An oxazolidine containing one or more oxo groups. | 2.55 | 2 | 0 | carbamate ester; oxazolidinone | metabolite |
| pyrroline pyrroline: RN given refers to cpd with unspecified locant for dihydro moiety. pyrroline : Any organic heteromonocyclic compound with a structure based on a dihydropyrrole. | 2.1 | 1 | 0 | pyrroline | |
| n-acetylcolchinol o-methyl ether N-acetylcolchinol O-methyl ether: structure given in first source | 2.05 | 1 | 0 | ||
| cobalt Cobalt: A trace element that is a component of vitamin B12. It has the atomic symbol Co, atomic number 27, and atomic weight 58.93. It is used in nuclear weapons, alloys, and pigments. Deficiency in animals leads to anemia; its excess in humans can lead to erythrocytosis.. cobalt(1+) : A monovalent inorganic cation obtained from cobalt.. cobalt atom : A cobalt group element atom that has atomic number 27. | 2.42 | 2 | 0 | cobalt group element atom; metal allergen | micronutrient |
| phosphites Phosphites: Inorganic salts or organic esters of phosphorous acid that contain the (3-)PO3 radical. (From Grant & Hackh's Chemical Dictionary, 5th ed). phosphite(3-) : A trivalent inorganic anion obtained by removal of all three protons from phosphorous acid. | 2.05 | 1 | 0 | phosphite ion; trivalent inorganic anion | |
| lexitropsin lexitropsin: structure given in first source; information reading oligopeptide | 1.98 | 1 | 0 | ||
| n-iodosuccinimide [no description available] | 3.04 | 4 | 0 | dicarboximide; pyrrolidinone | |
| stannane [no description available] | 2 | 1 | 0 | mononuclear parent hydride; tin hydride | |
| carbene carbene: electrically neutral species H2C: and its derivatives, in which the carbon is covalently bonded to two univalent groups of any kind or a divalent group and bears two nonbonding electrons; carbene is the name of the parent hydride :CH2 ; hence, the name dichlorocarbene for :CCl2. However, names for acyclic and cyclic hydrocarbons containing one or more divalent carbon atoms are derived from the name of the corresponding all-4-hydrocarbon using the suffix -ylidene; methylene carbene also available. carbene : The electrically neutral species H2C(2.) and its derivatives, in which the carbon is covalently bonded to two univalent groups of any kind or a divalent group and bears two nonbonding electrons, which may be spin-paired (singlet state) or spin-non-paired (triplet state). | 9.24 | 5 | 0 | carbene; methanediyl | |
| hypoiodous acid [no description available] | 2.07 | 1 | 0 | iodine oxoacid | |
| proline Proline: A non-essential amino acid that is synthesized from GLUTAMIC ACID. It is an essential component of COLLAGEN and is important for proper functioning of joints and tendons.. proline : An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2. | 2.05 | 1 | 0 | amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid | algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
| hydroxyl radical Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent. | 7.48 | 2 | 0 | oxygen hydride; oxygen radical; reactive oxygen species | |
| indium trichloride indium trichloride: RN given refers to parent cpd | 2.11 | 1 | 0 | ||
| 3-n-butyl-4,5-dihydrophthalide 3-N-butyl-4,5-dihydrophthalide: from seeds of Apium graveolens Linn.; RN given refers to (-)-isomer; structure given in first source | 2.06 | 1 | 0 | ||
| propargylamine propargylamine: RN given refers to parent cpd; structure | 2.43 | 2 | 0 | ||
| benzofurans Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring. | 2.75 | 3 | 0 | ||
| allocolchicine allocolchicine: not allo-isomer of colchicine; structure given in first source; RN given refers to (S)-isomer | 2.05 | 1 | 0 | ||
| dihydropyridines Dihydropyridines: Pyridine moieties which are partially saturated by the addition of two hydrogen atoms in any position. | 2.08 | 1 | 0 | ||
| glycosides [no description available] | 2.04 | 1 | 0 | ||
| antofine antofine: structure in first source. (-)-antofine : An organic heteropentacyclic compound that is (13aR)-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline substituted at positions 2, 3 and 6 by methoxy groups. It is an alkaloid produced by relatives of the milkweed family and exhibits antiviral, anti-inflammatory, antiadipogenic and antitumorigenic activities. | 2.1 | 1 | 0 | alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound | angiogenesis inhibitor; anti-inflammatory agent; antimicrobial agent; antineoplastic agent; antiviral agent; phytotoxin; plant metabolite |
| lithium Lithium: An element in the alkali metals family. It has the atomic symbol Li, atomic number 3, and atomic weight [6.938; 6.997]. Salts of lithium are used in treating BIPOLAR DISORDER. | 2.06 | 1 | 0 | alkali metal atom | |
| 4-azidophenylalanine 4-azidophenylalanine: RN given refers to (L)-isomer. 4-azido-L-phenylalanine : A 4-azidophenylalanine that has L-configuration. It is used as a bioorthogonal click-chemistry reagent.. 4-azidophenylalanine : A phenylalanine derivative that is phenylalanine substituted by an azido group at position 4. | 2.21 | 1 | 0 | ||
| tetrathiomolybdate tetrathiomolybdate: RN given refers to (MoS4)-2; chelates copper; inhibits CopB copper ATPase and cytokine proteins important for angiogenesis; structure | 2.01 | 1 | 0 | ||
| leukotriene b4 Leukotriene B4: The major metabolite in neutrophil polymorphonuclear leukocytes. It stimulates polymorphonuclear cell function (degranulation, formation of oxygen-centered free radicals, arachidonic acid release, and metabolism). (From Dictionary of Prostaglandins and Related Compounds, 1990). leukotriene B4 : A leukotriene composed of (6Z,8E,10E,14Z)-icosatetraenoic acid having (5S)- and (12R)-hydroxy substituents. It is a lipid mediator of inflammation that is generated from arachidonic acid via the 5-lipoxygenase pathway. | 2.04 | 1 | 0 | dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid | human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent |
| sclareolide sclareolide: has antineoplastic activity; synthesized by oxidation of sclareol; a minor constituent of Arnica angustifolia and Sideritis nutans; structure in first source | 2.03 | 1 | 0 | ||
| antimony Antimony: A metallic element that has the atomic symbol Sb, atomic number 51, and atomic weight 121.75. It is used as a metal alloy and as medicinal and poisonous salts. It is toxic and an irritant to the skin and the mucous membranes. | 2.05 | 1 | 0 | metalloid atom; pnictogen | |
| cesium Cesium: A member of the alkali metals. It has an atomic symbol Cs, atomic number 50, and atomic weight 132.91. Cesium has many industrial applications, including the construction of atomic clocks based on its atomic vibrational frequency. | 2.07 | 1 | 0 | alkali metal atom | |
| aluminum Aluminum: A metallic element that has the atomic number 13, atomic symbol Al, and atomic weight 26.98. | 2.44 | 2 | 0 | boron group element atom; elemental aluminium; metal atom | |
| indium Indium: A metallic element, atomic number 49, atomic weight 114.818, symbol In. It is named from its blue line in the spectrum.. indium atom : A metallic element first identified and named from the brilliant indigo (Latin indicum) blue line in its flame spectrum. | 2.98 | 4 | 0 | boron group element atom | |
| sulfur Sulfur: An element that is a member of the chalcogen family. It has an atomic symbol S, atomic number 16, and atomic weight [32.059; 32.076]. It is found in the amino acids cysteine and methionine. | 7.74 | 3 | 0 | chalcogen; nonmetal atom | macronutrient |
| beta-damascenone beta-damascenone: from Ipomoea pes-caprea; RN given refers to cpd without isomeric designation; RN 23726-93-4 refers to beta-damascenone; structure given in first source. beta-damascenone : A cyclic monoterpene ketone that is 2,6,6-trimethylcyclohexa-1,3-diene substituted at position 1 by a crotonoyl group. | 2.04 | 1 | 0 | apo carotenoid monoterpenoid; cyclic monoterpene ketone; enone | fragrance; plant metabolite; volatile oil component |
| silicon Silicon: A trace element that constitutes about 27.6% of the earth's crust in the form of SILICON DIOXIDE. It does not occur free in nature. Silicon has the atomic symbol Si, atomic number 14, and atomic weight [28.084; 28.086]. | 2.02 | 1 | 0 | carbon group element atom; metalloid atom; nonmetal atom | |
| boron Boron: A trace element with the atomic symbol B, atomic number 5, and atomic weight [10.806; 10.821]. Boron-10, an isotope of boron, is used as a neutron absorber in BORON NEUTRON CAPTURE THERAPY. | 2.02 | 1 | 0 | boron group element atom; metalloid atom; nonmetal atom | micronutrient |
| clodinafop clodinafop: structure in first source. clodinafop : An aromatic ether that is (R)-lactic acid in which the hydroxy group at position 2 has been converted to the corresponding p-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenyl ether. It is the parent acid of the herbicide clodinafop-propargyl. | 2.42 | 2 | 0 | aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines | EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; phenoxy herbicide |
| selenium Selenium: An element with the atomic symbol Se, atomic number 34, and atomic weight 78.97. It is an essential micronutrient for mammals and other animals but is toxic in large amounts. Selenium protects intracellular structures against oxidative damage. It is an essential component of GLUTATHIONE PEROXIDASE. | 2.52 | 2 | 0 | chalcogen; nonmetal atom | micronutrient |
| apoptolidin apoptolidin: an apoptosis inducer in transformed cells from Nocardiopsis sp.; structure in first source | 2.04 | 1 | 0 | ||
| sepharose agarose : A linear polysaccharide made up from alternating D-galactose and 3,6-anhydro-alpha-L-galactopyranose residues joined by alpha-(1->3)- and beta-(1->4)-linkages. | 2.1 | 1 | 0 | ||
| 3-demethoxyerythratidinone 3-demethoxyerythratidinone: erythrina alkaloid; structure in first source | 2.08 | 1 | 0 | ||
| bi(otf)3 Bi(OTf)3: structure in first source | 2.1 | 1 | 0 | ||
| nitrogenase Nitrogenase: An enzyme system that catalyzes the fixing of nitrogen in soil bacteria and blue-green algae (CYANOBACTERIA). EC 1.18.6.1. | 3.12 | 5 | 0 | ||
| warfarin Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group. | 2.49 | 2 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
| tetramic acid tetramic acid : A gamma-lactam that is 1,3-dihydro-2H-pyrrol-2-one in which the hydrogen at position 4 has been replaced by a hydroxy group. Despite its simple structure, it was not synthesised until 1972; earlier attempts were later shown to have resulted only in the formation of the isomer 5-imino-4,5-dihydrofuran-3-ol. | 2.13 | 1 | 0 | ||
| alcohol oxidase [no description available] | 1.95 | 1 | 0 | ||
| cobamamide cobamamide : A member of the class of cobalamins that is vitamin B12 in which the cyano group is replaced by a 5'-deoxyadenos-5'-yl moiety. It is one of the two metabolically active form of vitamin B12. | 2.01 | 1 | 0 | ||
| acyclovir Acyclovir: A GUANOSINE analog that acts as an antimetabolite. Viruses are especially susceptible. Used especially against herpes.. acyclovir : An oxopurine that is guanine substituted by a (2-hydroxyethoxy)methyl substituent at position 9. Used in the treatment of viral infections. | 2.17 | 1 | 0 | 2-aminopurines; oxopurine | antimetabolite; antiviral drug |
| guanosine ribonucleoside : Any nucleoside where the sugar component is D-ribose. | 2.17 | 1 | 0 | guanosines; purines D-ribonucleoside | fundamental metabolite |
| folic acid folcysteine: used to promote fertility in chickens. vitamin B9 : Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin. | 2.21 | 1 | 0 | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
| phenanthrenes Phenanthrenes: POLYCYCLIC AROMATIC HYDROCARBONS composed of three fused BENZENE rings.. phenanthrenes : Any benzenoid aromatic compound that consists of a phenanthrene skeleton and its substituted derivatives thereof. | 7.1 | 1 | 0 |
| Condition | Indicated | Relationship Strength | Studies | Trials |
|---|---|---|---|---|
| Adenoma, Basal Cell [description not available] | 0 | 2.08 | 1 | 0 |
| Innate Inflammatory Response [description not available] | 0 | 2.08 | 1 | 0 |
| Leucocythaemia [description not available] | 0 | 2.08 | 1 | 0 |
| Benign Neoplasms [description not available] | 0 | 2.08 | 1 | 0 |
| Respiratory Tract Neoplasms New abnormal growth of tissue in the RESPIRATORY SYSTEM. | 0 | 2.08 | 1 | 0 |
| Adenoma A benign epithelial tumor with a glandular organization. | 0 | 2.08 | 1 | 0 |
| Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function. | 0 | 2.08 | 1 | 0 |
| Leukemia A progressive, malignant disease of the blood-forming organs, characterized by distorted proliferation and development of leukocytes and their precursors in the blood and bone marrow. Leukemias were originally termed acute or chronic based on life expectancy but now are classified according to cellular maturity. Acute leukemias consist of predominately immature cells; chronic leukemias are composed of more mature cells. (From The Merck Manual, 2006) | 0 | 2.08 | 1 | 0 |
| Neoplasms New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms. | 0 | 2.08 | 1 | 0 |
| Experimental Neoplasms [description not available] | 0 | 2.04 | 1 | 0 |
| Babesia Infection [description not available] | 0 | 2.01 | 1 | 0 |
| Equine Diseases [description not available] | 0 | 2.01 | 1 | 0 |
| Polyarthritis [description not available] | 0 | 2.03 | 1 | 0 |
| Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases. | 0 | 2.03 | 1 | 0 |
| Arthritis Acute or chronic inflammation of JOINTS. | 0 | 2.03 | 1 | 0 |
| Abnormalities, Autosome [description not available] | 0 | 1.98 | 1 | 0 |