Methyl acrylate is a colorless liquid with a pungent odor. It is a versatile monomer used in the production of various polymers, including acrylic resins, acrylic fibers, and polymethyl methacrylate (PMMA). Its synthesis typically involves the reaction of methanol with acrylic acid, catalyzed by an acid. Methyl acrylate is also produced as a byproduct of the production of other chemicals, such as ethylene oxide. It is a reactive compound and readily polymerizes, which makes it suitable for use in adhesives, coatings, and sealants. The compound is also used in the production of pharmaceuticals, textiles, and agricultural chemicals. Methyl acrylate is known to be a skin and eye irritant and can be harmful if inhaled. It is also a potential allergen. Research on methyl acrylate focuses on its use in various applications, its environmental impact, and its safety aspects.'
| ID Source | ID |
|---|---|
| PubMed CID | 7294 |
| CHEMBL ID | 9019 |
| CHEBI ID | 82482 |
| MeSH ID | M0109830 |
| Synonym |
|---|
| 2-propenoic acid, methyl ester |
| acrylic acid methyl ester |
| methyl propenoate |
| methyl acrylate |
| 96-33-3 |
| acrylsaeuremethylester |
| acrylic acid, methyl ester |
| nsc-24146 |
| nsc24146 |
| methylacrylaat |
| methyl 2-propenoate |
| wln: 1u1vo1 |
| methoxycarbonylethylene |
| methyl propenate |
| metilacrilato |
| acrylate de methyle |
| methyl-acrylat |
| methyl prop-2-enoate |
| inchi=1/c4h6o2/c1-3-4(5)6-2/h3h,1h2,2h |
| NCGC00091096-01 |
| curithane 103 |
| methyl acrylate, monomer |
| ai3-15715 |
| einecs 202-500-6 |
| methylester kyseliny akrylove [czech] |
| acrylsaeuremethylester [german] |
| brn 0605396 |
| metilacrilato [italian] |
| hsdb 194 |
| ccris 1839 |
| un1919 |
| acrylate de methyle [french] |
| methylacrylaat [dutch] |
| methyl-acrylat [german] |
| methylacrylate |
| nsc 24146 |
| methyl acrylate, inhibited [un1919] [flammable liquid] |
| methyl acrylate, 99%, contains <=100 ppm monomethyl ether hydroquinone as inhibitor |
| A0145 |
| chebi:82482 , |
| CHEMBL9019 |
| AKOS000120907 |
| NCGC00091096-02 |
| ec 202-500-6 |
| unii-wc487pr91h |
| methyl acrylate, inhibited |
| 4-02-00-01457 (beilstein handbook reference) |
| wc487pr91h , |
| methyl acrylate, inhibited [un1919] [flammable liquid] |
| methylester kyseliny akrylove |
| C19443 |
| dtxcid204183 |
| dtxsid0024183 , |
| cas-96-33-3 |
| tox21_201000 |
| NCGC00258553-01 |
| BBL011432 |
| STL146539 |
| FT-0621880 |
| FT-0604466 |
| methyl-2-propenoate |
| methyl acrylate [iarc] |
| methyl acrylate [hsdb] |
| methyl acrylate [mi] |
| 2-propenoic acid methyl ester |
| BP-13449 |
| methylacrilate |
| methyacrylate |
| methyl 2-propen-oate |
| methoxyacrolein |
| methyl acrilate |
| methyl-acrylate |
| acrylic acid-methyl ester |
| ch2=chcooch3 |
| methyl ester acrylic acid |
| un 1919 |
| methyl ester of 2-propenoic acid |
| J-522585 |
| F0001-2293 |
| methyl acrylate, analytical standard |
| mfcd00008627 |
| methyl acrylate, saj first grade, >=99.0% |
| methyl acrylate (ma), 99.0%(gc), contains 10-20 ppm mehq as stabilizer |
| methyl acrylate (stabilized with mehq) |
| methyl acrylate (ma), ar, 98.5%, contains 0.05% mehq as stabilizer |
| methyl acrylate, stabilized with mehq |
| methyl-acrylat (german) |
| Q343028 |
| bdbm50245463 |
| methyl acrylate (stabilized) |
| methyl acrylate stabilized with 10-20ppm mehq |
| EN300-20010 |
| acrilato de metilo |
| methyl acrylate (iarc) |
| methyl acrylate, monomer(sri 773) |
Methyl acrylate is a widely used raw chemical materials. It is toxic in humans.
| Excerpt | Reference | Relevance |
|---|---|---|
| "Methyl acrylate is a widely used raw chemical materials and it is toxic in humans. " | ( Removal of methyl acrylate by ceramic-packed biotrickling filter and their response to bacterial community. Fang, Y; Quan, Y; Wu, H; Yin, C; Yin, Z, 2016) | 2.27 |
| Excerpt | Reference | Relevance |
|---|---|---|
| " These toxic effects of the olfactory epithelium and cornea were attributed to the known irritancy of MA and BA." | ( Chronic toxicity and oncogenicity of inhaled methyl acrylate and n-butyl acrylate in Sprague-Dawley rats. Klimisch, HJ; Koestner, A; Reininghaus, W, 1991) | 0.54 |
| Excerpt | Reference | Relevance |
|---|---|---|
| "The cross-linking structure of the ultra violet (UV)-cured resin prepared from dipentaerithritol hexacrylate (DPHA) was characterized by matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) combined with supercritical methanolysis." | ( Characterization of cross-linking structures in UV-cured acrylic ester resin by MALDI-MS combined with supercritical methanolysis. Hata, S; Ishida, Y; Kondo, Y; Matsubara, H; Ohtani, H; Takigawa, H, 2006) | 0.33 |
| Excerpt | Reference | Relevance |
|---|---|---|
| " Oral bioavailability from the low-crystalline PVA-MA tablet formulation was 78." | ( Polyvinyl alcohol-methyl acrylate copolymers as a sustained-release oral delivery system. CoffinBeach, D; DiLuccio, RC; Hurwitz, AR; Hussain, MA; Shefter, E; Torosian, G, 1989) | 0.61 |
| " The oral bioavailability of theophylline from this formulation in dogs was approximately 80% and was equivalent to that obtained after administration of Theo-Dur, a marketed extended-release theophylline tablet from Key Pharmaceuticals." | ( Sustained-release oral delivery of theophylline by use of polyvinyl alcohol and polyvinyl alcohol-methyl acrylate polymers. Coffin-Beach, D; DiLuccio, RC; Hurwitz, AR; Hussain, MA; Shefter, E; Torosian, G, 1994) | 0.51 |
| "802 mg/ml showed about the same bioavailability (AUC(0-t)) in tear fluid as that of the puerarin eye drops." | ( Preparation and evaluation of a contact lens vehicle for puerarin delivery. Li, X; Sun, F; Xu, J, 2010) | 0.36 |
| Excerpt | Relevance | Reference |
|---|---|---|
| "The aim of the present study was to develop a multi-unit dosage form containing 5-aminosalicylic acid (5-ASA) for the treatment of ulcerative colitis (UC), optimised on the basis of recent studies indicating that UC patients have higher intestinal pH than was previously thought to be the case." | ( A new 5-aminosalicylic acid multi-unit dosage form for the therapy of ulcerative colitis. Beckert, TE; Dressman, JB; Klein, S; Petereit, H; Rudolph, MW, 2001) | 0.31 |
| Class | Description |
|---|---|
| enoate ester | An alpha,beta-unsaturated carboxylic ester of general formula R(1)R(2)C=CR(3)-C(=O)OR(4) (R(4) =/= H) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position. |
| [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 | 0.5048 | 0.0060 | 38.0041 | 19,952.5996 | AID1159521; AID1159523 |
| AR protein | Homo sapiens (human) | Potency | 62.3016 | 0.0002 | 21.2231 | 8,912.5098 | AID743036 |
| activating transcription factor 6 | Homo sapiens (human) | Potency | 62.3016 | 0.1434 | 27.6121 | 59.8106 | AID1159516 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID1148902 | Antifungal activity against Candida albicans ATCC 10231 incubated for 20 hrs | 1976 | Journal of medicinal chemistry, Aug, Volume: 19, Issue:8 | Antifungal activity of 4-substituted crotonic acid esters. |
| AID1148905 | Antifungal activity against Trichophyton mentagrophytes ATCC 9129 incubated for 5 days | 1976 | Journal of medicinal chemistry, Aug, Volume: 19, Issue:8 | Antifungal activity of 4-substituted crotonic acid esters. |
| AID1469831 | Inhibition of [3H]dopamine uptake at DAT in rat brain striatal synaptosomes by liquid scintillation counting analysis | 2017 | Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3 | Covalent Modifiers: A Chemical Perspective on the Reactivity of α,β-Unsaturated Carbonyls with Thiols via Hetero-Michael Addition Reactions. |
| AID1148904 | Antifungal activity against Mucor mucedo ATCC 7941 incubated for 20 hrs | 1976 | Journal of medicinal chemistry, Aug, Volume: 19, Issue:8 | Antifungal activity of 4-substituted crotonic acid esters. |
| AID1148903 | Antifungal activity against Aspergillus niger ATCC 1004 incubated for 5 days | 1976 | Journal of medicinal chemistry, Aug, Volume: 19, Issue:8 | Antifungal activity of 4-substituted crotonic acid esters. |
| AID212822 | The rate constant in Acetonitrile and buffered aqueous acetonitrile solution, at 30 degrees Celsius and pH 8.1 | 1986 | Journal of medicinal chemistry, Sep, Volume: 29, Issue:9 | Thiol addition to quinones: model reactions for the inactivation of thymidylate synthase by 5-p-benzoquinonyl-2'-deoxyuridine 5'-phosphate. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 18 (11.84) | 18.7374 |
| 1990's | 17 (11.18) | 18.2507 |
| 2000's | 39 (25.66) | 29.6817 |
| 2010's | 74 (48.68) | 24.3611 |
| 2020's | 4 (2.63) | 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 (73.78) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 3 (1.92%) | 5.53% |
| Reviews | 3 (1.92%) | 6.00% |
| Case Studies | 3 (1.92%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 147 (94.23%) | 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 |
|---|---|---|---|---|---|
| 3-hydroxyisobutyric acid 3-hydroxyisobutyric acid: RN given refers to cpd without isomeric designation. 3-hydroxyisobutyric acid : A 4-carbon, branched hydroxy fatty acid and intermediate in the metabolism of valine. | 2 | 1 | 0 | 3-hydroxy monocarboxylic acid | |
| 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. | 2.31 | 1 | 0 | ethanediol; glycol | metabolite; mouse metabolite; solvent; toxin |
| acetone methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H). | 2.06 | 1 | 0 | ketone body; methyl ketone; propanones; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent |
| ammonium hydroxide azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2. | 2.05 | 1 | 0 | azane; gas molecular entity; mononuclear parent hydride | EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant |
| benzaldehyde [no description available] | 7.21 | 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] | 2.37 | 2 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
| 1-butanol 1-Butanol: A four carbon linear hydrocarbon that has a hydroxy group at position 1.. butan-1-ol : A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes. | 2.42 | 2 | 0 | alkyl alcohol; primary alcohol; short-chain primary fatty alcohol | human metabolite; mouse metabolite; protic solvent |
| 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). | 4.14 | 3 | 1 | alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound | bacterial metabolite; fossil fuel; greenhouse gas |
| 3-hydroxybutyric acid 3-Hydroxybutyric Acid: BUTYRIC ACID substituted in the beta or 3 position. It is one of the ketone bodies produced in the liver.. 3-hydroxybutyric acid : A straight-chain 3-hydroxy monocarboxylic acid comprising a butyric acid core with a single hydroxy substituent in the 3- position; a ketone body whose levels are raised during ketosis, used as an energy source by the brain during fasting in humans. Also used to synthesise biodegradable plastics. | 3.42 | 1 | 1 | (omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid | human metabolite |
| propionaldehyde propionaldehyde: may cause respiratory irritation; RN given refers to parent cpd; structure. propanal : An aldehyde that consists of ethane bearing a formyl substituent. The parent of the class of propanals. | 2.03 | 1 | 0 | alpha-CH2-containing aldehyde; propanals | Escherichia coli metabolite |
| arsenous acid arsenous acid : An arsenic oxoacid consisting of three hydroxy groups attached to a central arsenic atom. | 2.11 | 1 | 0 | arsenic oxoacid | |
| dimethyl sulfoxide Dimethyl Sulfoxide: A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during CRYOPRESERVATION. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation.. dimethyl sulfoxide : A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents. | 2.06 | 1 | 0 | sulfoxide; volatile organic compound | alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger |
| formaldehyde paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy | 2.1 | 1 | 0 | aldehyde; one-carbon compound | allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| glycine [no description available] | 2.02 | 1 | 0 | alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical |
| 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. | 7.05 | 1 | 0 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
| hydroquinone [no description available] | 2.04 | 1 | 0 | benzenediol; hydroquinones | antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent |
| hydroxylamine amino alcohol : An alcohol containing an amino functional group in addition to the alcohol-defining hydroxy group. | 2.05 | 1 | 0 | hydroxylamines | algal metabolite; bacterial xenobiotic metabolite; EC 1.1.3.13 (alcohol oxidase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; nitric oxide donor; nucleophilic reagent |
| dihydroxyphenylalanine Dihydroxyphenylalanine: A beta-hydroxylated derivative of phenylalanine. The D-form of dihydroxyphenylalanine has less physiologic activity than the L-form and is commonly used experimentally to determine whether the pharmacological effects of LEVODOPA are stereospecific.. dopa : A hydroxyphenylalanine carrying hydroxy substituents at positions 3 and 4 of the benzene ring. | 3.42 | 1 | 1 | hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative | human metabolite |
| methanol Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group. | 2.7 | 3 | 0 | alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound | amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
| 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. | 8.16 | 5 | 0 | metal allergen; nickel group element atom | epitope; micronutrient |
| 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. | 2.03 | 1 | 0 | propan-1-ols; short-chain primary fatty alcohol | metabolite; protic solvent |
| pyrogallol benzenetriol : A triol in which three hydroxy groups are substituted onto a benzene ring. | 2.04 | 1 | 0 | benzenetriol; phenolic donor | plant metabolite |
| uracil 2,4-dihydroxypyrimidine: a urinary biomarker for bipolar disorder | 2.06 | 1 | 0 | pyrimidine nucleobase; pyrimidone | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; 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. | 2.03 | 1 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
| homovanillic acid Homovanillic Acid: A 3-O-methyl ETHER of (3,4-dihydroxyphenyl)acetic acid.. homovanillate : A hydroxy monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of homovanillic acid.. homovanillic acid : A monocarboxylic acid that is the 3-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. It is a catecholamine metabolite. | 2.03 | 1 | 0 | guaiacols; monocarboxylic acid | human metabolite; mouse metabolite |
| acetazolamide Acetazolamide: One of the CARBONIC ANHYDRASE INHIBITORS that is sometimes effective against absence seizures. It is sometimes useful also as an adjunct in the treatment of tonic-clonic, myoclonic, and atonic seizures, particularly in women whose seizures occur or are exacerbated at specific times in the menstrual cycle. However, its usefulness is transient often because of rapid development of tolerance. Its antiepileptic effect may be due to its inhibitory effect on brain carbonic anhydrase, which leads to an increased transneuronal chloride gradient, increased chloride current, and increased inhibition. (From Smith and Reynard, Textbook of Pharmacology, 1991, p337) | 3.42 | 1 | 1 | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| theophylline [no description available] | 6.98 | 1 | 0 | dimethylxanthine | adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent |
| benzo(a)pyrene Benzo(a)pyrene: A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke.. benzo[a]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. | 1.98 | 1 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent; mouse metabolite |
| ethylenediamine ethylenediamine: RN given refers to parent cpd; edamine is the recommended contraction for the ethylenediamine radical. ethylenediamine : An alkane-alpha,omega-diamine in which the alkane is ethane. | 2.96 | 4 | 0 | alkane-alpha,omega-diamine | GABA agonist |
| hydralazine Hydralazine: A direct-acting vasodilator that is used as an antihypertensive agent.. hydralazine : The 1-hydrazino derivative of phthalazine; a direct-acting vasodilator that is used as an antihypertensive agent. | 2.03 | 1 | 0 | azaarene; hydrazines; ortho-fused heteroarene; phthalazines | antihypertensive agent; vasodilator agent |
| ibuprofen Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine | 2.03 | 1 | 0 | monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic |
| iodoacetamide [no description available] | 2.15 | 1 | 0 | ||
| 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. | 2.17 | 1 | 0 | secondary alcohol; secondary fatty alcohol | protic solvent |
| 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. | 1.96 | 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 |
| mesalamine Mesalamine: An anti-inflammatory agent, structurally related to the SALICYLATES, which is active in INFLAMMATORY BOWEL DISEASE. It is considered to be the active moiety of SULPHASALAZINE. (From Martindale, The Extra Pharmacopoeia, 30th ed). mesalamine : A monohydroxybenzoic acid that is salicylic acid substituted by an amino group at the 5-position. | 2 | 1 | 0 | amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols | non-steroidal anti-inflammatory drug |
| methacrylic acid methacrylic acid: RN given refers to parent cpd. methacrylic acid : An alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by a methyl group. | 2.43 | 2 | 0 | alpha,beta-unsaturated monocarboxylic acid | |
| methyl methanesulfonate [no description available] | 1.98 | 1 | 0 | methanesulfonate ester | alkylating agent; apoptosis inducer; carcinogenic agent; genotoxin; mutagen |
| ethylmaleimide Ethylmaleimide: A sulfhydryl reagent that is widely used in experimental biochemical studies. | 2.75 | 3 | 0 | maleimides | anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor |
| nifedipine Nifedipine: A potent vasodilator agent with calcium antagonistic action. It is a useful anti-anginal agent that also lowers blood pressure. | 2.05 | 1 | 0 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
| quinone benzoquinone : The simplest members of the class of benzoquinones, consisting of cyclohexadiene which is substituted by two oxo groups.. 1,4-benzoquinone : The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene.. quinone : Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included). | 2.05 | 1 | 0 | 1,4-benzoquinones | cofactor; human xenobiotic metabolite; mouse metabolite |
| pd168393 PD 168393 : A member of the class of quinazolines carrying bromoanilino and acrylamido substituents at positions 4 and 6 respectively. | 2.15 | 1 | 0 | acrylamides; bromobenzenes; quinazolines; secondary carboxamide; substituted aniline | epidermal growth factor receptor antagonist |
| tiopronin Tiopronin: Sulfhydryl acylated derivative of GLYCINE. | 2.42 | 2 | 0 | N-acyl-amino acid | |
| mitomycin Mitomycin: An antineoplastic antibiotic produced by Streptomyces caespitosus. It is one of the bi- or tri-functional ALKYLATING AGENTS causing cross-linking of DNA and inhibition of DNA synthesis.. mitomycin : A family of aziridine-containing natural products isolated from Streptomyces caespitosus or Streptomyces lavendulae. | 1.96 | 1 | 0 | mitomycin | alkylating agent; antineoplastic agent |
| 2-acetylaminofluorene 2-Acetylaminofluorene: A hepatic carcinogen whose mechanism of activation involves N-hydroxylation to the aryl hydroxamic acid followed by enzymatic sulfonation to sulfoxyfluorenylacetamide. It is used to study the carcinogenicity and mutagenicity of aromatic amines. | 1.98 | 1 | 0 | 2-acetamidofluorenes | antimitotic; carcinogenic agent; epitope; mutagen |
| sucrose Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar. | 2.15 | 1 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
| edetic acid Edetic Acid: A chelating agent that sequesters a variety of polyvalent cations such as CALCIUM. It is used in pharmaceutical manufacturing and as a food additive. | 3.42 | 1 | 1 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
| ethylene Plastipore: high density polyethylene sponge biocompatible material; used as posts in dental bridges | 2.73 | 3 | 0 | alkene; gas molecular entity | plant hormone; refrigerant |
| 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. | 2.05 | 1 | 0 | boranes; mononuclear parent hydride | |
| 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. | 2.37 | 2 | 0 | gas molecular entity; oxacycle; saturated organic heteromonocyclic parent | allergen; mouse metabolite; mutagen |
| vinylidene chloride vinylidene chloride: potent hepatotoxin. 1,1-dichloroethene : A member of the class of chloroethenes that is ethene in which both of the hydrogens attached to one of the carbons are replaced by chlorines. | 2.21 | 1 | 0 | chloroethenes | carcinogenic agent; mouse metabolite; mutagen |
| trifluoroethanol Trifluoroethanol: A non-aqueous co-solvent that serves as tool to study protein folding. It is also used in various pharmaceutical, chemical and engineering applications. | 2.17 | 1 | 0 | fluoroalcohol | |
| phencyclidine Phencyclidine: A hallucinogen formerly used as a veterinary anesthetic, and briefly as a general anesthetic for humans. Phencyclidine is similar to KETAMINE in structure and in many of its effects. Like ketamine, it can produce a dissociative state. It exerts its pharmacological action through inhibition of NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE). As a drug of abuse, it is known as PCP and Angel Dust.. phencyclidine : A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group. Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects. | 1.96 | 1 | 0 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
| divinyl sulfone divinyl sulfone: cross-linking reagent for agarose gels. divinyl sulfone : A sulfone compound having two S-vinyl substituents. | 1.97 | 1 | 0 | sulfone | cross-linking reagent |
| methacrylaldehyde [no description available] | 2.49 | 2 | 0 | enal | |
| methylethyl ketone methylethyl ketone: solvent; colorless synthetic resins, smokeless powders; may be irritating to eyes, mucous membranes; may be toxic in high concentrations; structure. butanone : Any ketone that is butane substituted by an oxo group at unspecified position.. butan-2-one : A dialkyl ketone that is a four-carbon ketone carrying a single keto- group at position C-2. | 2.1 | 1 | 0 | butanone; dialkyl ketone; methyl ketone; volatile organic compound | bacterial metabolite; polar aprotic solvent |
| 3-buten-2-one buten-2-one : A methyl ketone that is butan-2-one with an unsaturation at position 3. | 3.16 | 5 | 0 | enone; methyl ketone | |
| acrylamide [no description available] | 3.15 | 5 | 0 | acrylamides; N-acylammonia; primary carboxamide | alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin |
| acrylic acid acrylic acid: RN given refers to parent cpd. acrylic acid : A alpha,beta-unsaturated monocarboxylic acid that is ethene substituted by a carboxy group. | 3.57 | 8 | 0 | alpha,beta-unsaturated monocarboxylic acid | metabolite |
| methylmethacrylate Methylmethacrylate: The methyl ester of methacrylic acid. It polymerizes easily to form POLYMETHYL METHACRYLATE. It is used as a bone cement.. methyl methacrylate : An enoate ester having methacrylic acid as the carboxylic acid component and methanol as the alcohol component. | 3.12 | 5 | 0 | enoate ester; methyl ester | allergen; polymerisation monomer |
| n-vinyl-2-pyrrolidinone N-vinyl-2-pyrrolidinone: monomer of POVIDONE; structure given in first source | 2.05 | 1 | 0 | pyrrolidin-2-ones | |
| 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. | 2.08 | 1 | 0 | butan-4-olide | metabolite; neurotoxin |
| ethyl methacrylate monomer [no description available] | 2.07 | 1 | 0 | ||
| ethyl lactate ethyl lactate: RN given refers to cpd with unspecified isomeric designation. ethyl 2-hydroxypropanoate : The ethyl ester obtained of 2-hydroxypropanoic acid. | 2.17 | 1 | 0 | ethyl ester; lactate ester; secondary alcohol | metabolite |
| butyl methacrylate [no description available] | 1.97 | 1 | 0 | enoate ester | |
| ethylene dimethacrylate ethylene glycol dimethacrylate : The enoate ester that is the 1,2-bis(methacryloyl) derivative of ethylene glycol. | 2.44 | 2 | 0 | enoate ester | allergen; cross-linking reagent; polymerisation monomer |
| 4-bromoacetophenone [no description available] | 2.06 | 1 | 0 | ||
| styrene Styrene: A colorless, toxic liquid with a strong aromatic odor. It is used to make rubbers, polymers and copolymers, and polystyrene plastics.. styrene : A vinylarene that is benzene carrying a vinyl group. It has been isolated from the benzoin resin produced by Styrax species. | 3.16 | 5 | 0 | styrenes; vinylarene; volatile organic compound | mouse metabolite; mutagen; plant metabolite |
| 4-vinylpyridine 4-vinylpyridine: reagent for blocking cysteine function in proteins; RN given refers to parent cpd | 2.44 | 2 | 0 | ||
| 2-ethylhexyl acrylate [no description available] | 2.68 | 3 | 0 | enoate ester | |
| caprolactam Caprolactam: Cyclic amide of caproic acid used in manufacture of synthetic fibers of the polyamide type. Can cause local irritation.. epsilon-caprolactam : A member of the class of caprolactams that is azepane substituted by an oxo group at position 2. | 1.93 | 1 | 0 | caprolactams | human blood serum metabolite |
| 4-xylene p-xylene : A xylene with methyl groups at positions 1 and 4. | 2.1 | 1 | 0 | xylene | |
| butane butane : A straight chain alkane composed of 4 carbon atoms. | 2.06 | 1 | 0 | alkane; gas molecular entity | food propellant; refrigerant |
| acrolein [no description available] | 2.97 | 4 | 0 | enal | herbicide; human xenobiotic metabolite; toxin |
| allyl chloride [no description available] | 2.03 | 1 | 0 | organochlorine compound | |
| acrylonitrile [no description available] | 8.13 | 5 | 0 | aliphatic nitrile; volatile organic compound | antifungal agent; carcinogenic agent; fungal metabolite; mutagen; polar aprotic solvent |
| 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. | 2.71 | 3 | 0 | primary allylic alcohol; propenol | antibacterial agent; fungicide; herbicide; insecticide; plant metabolite |
| vinyl acetate [no description available] | 2.03 | 1 | 0 | acetate ester | |
| tetrahydrofuran oxolane : A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen. | 2.02 | 1 | 0 | cyclic ether; oxolanes; saturated organic heteromonocyclic parent; volatile organic compound | polar aprotic solvent |
| nonane iotrochotin: toxin from the Caribbean sponge Iotrochota birotulata, which selectively permeabilizes synaptosomes. nonane : A straight chain alkane composed of 9 carbon atoms. | 2.02 | 1 | 0 | alkane | plant metabolite; volatile oil component |
| benzoin [no description available] | 1.98 | 1 | 0 | benzoins; secondary alpha-hydroxy ketone | EC 3.1.1.1 (carboxylesterase) inhibitor |
| 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. | 2.05 | 1 | 0 | naphthol | antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger |
| ethyl acrylate [no description available] | 8.81 | 11 | 0 | enoate ester | |
| n-butyl acrylate butyl acrylate : An acrylate ester obtained by the formal condensation of the hydroxy group of butan-1-ol with the carboxy group of acrylic acid. | 8.72 | 10 | 0 | acrylate ester | |
| mesityl oxide mesityl oxide: solvent for extraction of nitrocellulose, many resins, & tellurium; structure | 2.15 | 1 | 0 | olefinic compound | |
| triethylenediamine triethylenediamine: RN given refers to parent cpd. triethylenediamine : An organic heterobicylic compound that is piperazine with an ethane-1,2-diyl group forming a bridge between N1 and N4. It is typically used as a catalyst in polymerization reactions. | 2.47 | 2 | 0 | bridged compound; diamine; saturated organic heterobicyclic parent; tertiary amino compound | antioxidant; catalyst; reagent |
| cyclopentane Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution. | 2.05 | 1 | 0 | cycloalkane; cyclopentanes; volatile organic compound | non-polar solvent |
| phenylbenzoquinone phenylbenzoquinone: RN given refers to parent cpd | 1.96 | 1 | 0 | ||
| phenylpropanolamine Phenylpropanolamine: A sympathomimetic that acts mainly by causing release of NOREPINEPHRINE but also has direct agonist activity at some adrenergic receptors. It is most commonly used as a nasal vasoconstrictor and an appetite depressant.. phenylpropanolamine : An amphetamine in which the parent 1-phenylpropan-2-amine skeleton is substituted at position 1 with an hydroxy group. A decongestant and appetite suppressant, it is commonly used in prescription and over-the-counter cough and cold preparations.. (-)-norephedrine : An amphetamine that is propylbenzene substituted by a hydroxy group at position 1 and by an amino group at position 2 (the 1R,2S-stereoisomer). It is a plant alkaloid. | 1.97 | 1 | 0 | amphetamines; phenethylamine alkaloid | plant metabolite |
| phorone phorone: an industrial solvent; structure | 1.97 | 1 | 0 | dialkenyl ketone | |
| angelica lactone angelica lactone: RN given refers to cpd without isomeric designation; structure | 1.96 | 1 | 0 | angelica lactone; butenolide | |
| 2-pyrrolidone 2-pyrrolidone: RN given refers to parent cpd. pyrrolidin-2-one : The simplest member of the class of pyrrolidin-2-ones, consisting of pyrrolidine in which the hydrogens at position 2 are replaced by an oxo group. The lactam arising by the formal intramolecular condensation of the amino and carboxy groups of gamma-aminobutyric acid (GABA). | 2.46 | 2 | 0 | pyrrolidin-2-ones | metabolite; polar solvent |
| ethyl propiolate ethyl propiolate : The ethyl ester of prop-2-ynoic acid. | 2.15 | 1 | 0 | ethyl ester; terminal acetylenic compound; ynoate ester | |
| 2-hydroxyethyl acrylate [no description available] | 2.39 | 2 | 0 | ||
| hydroxyethyl methacrylate hydroxyethyl methacrylate: many of cited refs are for gel which refers to polymeric form of above cpd: POLYHYDROXYETHYL METHACRYLATE. 2-hydroxyethyl methacrylate : An enoate ester that is the monomethacryloyl derivative of ethylene glycol. | 2.48 | 2 | 0 | enoate ester | allergen; polymerisation monomer |
| cyclopentenone 2-cyclopenten-1-one : An enone that is cyclopentanone having a C=C double bond at position 2. | 2.15 | 1 | 0 | alicyclic ketone; enone | Hsp70 inducer |
| deoxycytidine [no description available] | 3.42 | 1 | 1 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| pyridine-2-carboxaldehyde pyridine-2-carboxaldehyde: structure in first source. 2-formylpyridine : A pyridinecarbaldehyde that is pyridine in which the hydrogen at position 2 is replaced by a formyl group. | 2.08 | 1 | 0 | pyridinecarbaldehyde | |
| sodium hydroxide Sodium Hydroxide: A highly caustic substance that is used to neutralize acids and make sodium salts. (From Merck Index, 11th ed) | 2.05 | 1 | 0 | alkali metal hydroxide | |
| tert-butyl acrylate tert-butyl acrylate: structure in first source | 2.1 | 1 | 0 | ||
| tetrachloroisophthalonitrile tetrachloroisophthalonitrile: structure. chlorothalonil : A dinitrile that is benzene-1,3-dicarbonitrile substituted by four chloro groups. A non-systemic fungicide first introduced in the 1960s, it is used to control a range of diseases in a wide variety of crops. | 3.42 | 1 | 1 | aromatic fungicide; dinitrile; tetrachlorobenzene | antifungal agrochemical |
| n-isopropylacrylamide N-isopropylacrylamide: can polymerize with glycidyl acrylate to form reactive water-soluble polymer that can react with the amino groups of enzymes-proteins or other ligands | 2.15 | 1 | 0 | ||
| hexyl acrylate [no description available] | 2.05 | 1 | 0 | ||
| 3-(trimethoxysilyl)propyl methacrylate 3-(trimethoxysilyl)propyl methacrylate: structure in first source | 2.03 | 1 | 0 | ||
| trimethylolpropane trimethacrylate trimethylolpropane trimethacrylate: acrylate derivative found in ultraviolet curing inks; structure in 1st source | 1.97 | 1 | 0 | carbonyl compound | |
| methyl vinyl sulfone [no description available] | 1.97 | 1 | 0 | ||
| mercury Mercury: A silver metallic element that exists as a liquid at room temperature. It has the atomic symbol Hg (from hydrargyrum, liquid silver), atomic number 80, and atomic weight 200.59. Mercury is used in many industrial applications and its salts have been employed therapeutically as purgatives, antisyphilitics, disinfectants, and astringents. It can be absorbed through the skin and mucous membranes which leads to MERCURY POISONING. Because of its toxicity, the clinical use of mercury and mercurials is diminishing.. mercury(0) : Elemental mercury of oxidation state zero. | 3.42 | 1 | 1 | elemental mercury; zinc group element atom | neurotoxin |
| palladium Palladium: A chemical element having an atomic weight of 106.4, atomic number of 46, and the symbol Pd. It is a white, ductile metal resembling platinum, and following it in abundance and importance of applications. It is used in dentistry in the form of gold, silver, and copper alloys.. palladium : Chemical element (nickel group element atom) with atomic number 46. | 3.29 | 6 | 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. | 2.06 | 1 | 0 | elemental platinum; nickel group element atom; platinum group metal 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. | 2.5 | 2 | 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. | 2.08 | 1 | 0 | f-block element atom; lanthanoid 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. | 2.04 | 1 | 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. | 3.42 | 1 | 1 | titanium group element atom | |
| cadmium Cadmium: An element with atomic symbol Cd, atomic number 48, and atomic weight 112.41. It is a metal and ingestion will lead to CADMIUM POISONING.. elemental cadmium : An element in the zinc group of the periodic table with atomic number 48, atomic mass 112, M.P. 321degreeC, and B.P. 765degreeC). An odourless, tasteless, and highly poisonous soft, ductile, lustrous metal with electropositive properties. It has eight stable isotopes: (106)Cd, (108)Cd,(110)Cd, (111)Cd, (112)Cd, (113)Cd, (114)Cd and (116)Cd, with (112)Cd and (114)Cd being the most common. | 4.14 | 3 | 1 | cadmium molecular entity; zinc group element atom | |
| cerium Cerium: An element of the rare earth family of metals. It has the atomic symbol Ce, atomic number 58, and atomic weight 140.12. Cerium is a malleable metal used in industrial applications. | 2.04 | 1 | 0 | f-block element atom; lanthanoid atom | |
| chromium Chromium: A trace element that plays a role in glucose metabolism. It has the atomic symbol Cr, atomic number 24, and atomic weight 52. According to the Fourth Annual Report on Carcinogens (NTP85-002,1985), chromium and some of its compounds have been listed as known carcinogens.. chromium ion : An chromium atom having a net electric charge.. chromium atom : A chromium group element atom that has atomic number 24. | 2.07 | 1 | 0 | chromium group element atom; metal allergen | micronutrient |
| 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. | 2.46 | 2 | 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. | 2.17 | 1 | 0 | diatomic bromine | |
| copper sulfate Copper Sulfate: A sulfate salt of copper. It is a potent emetic and is used as an antidote for poisoning by phosphorus. It also can be used to prevent the growth of algae.. copper(II) sulfate : A metal sulfate compound having copper(2+) as the metal ion. | 3.42 | 1 | 1 | metal sulfate | emetic; fertilizer; sensitiser |
| 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. | 2.41 | 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. | 2.05 | 1 | 0 | diatomic chlorine; gas molecular entity | bleaching agent |
| fluorides [no description available] | 2.41 | 1 | 0 | halide anion; monoatomic fluorine | |
| chromium chromium hexavalent ion: a human respiratory carcinogen | 2.07 | 1 | 0 | chromium cation; monoatomic hexacation | |
| iodine [no description available] | 2.43 | 2 | 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. | 2.11 | 1 | 0 | benzenes; phenyl acetates | |
| pyrrolidine [no description available] | 2.04 | 1 | 0 | azacycloalkane; pyrrolidines; saturated organic heteromonocyclic parent | |
| alkenes [no description available] | 3.42 | 7 | 0 | ||
| paclitaxel Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL). | 7.21 | 1 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
| adenosine quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit | 1.98 | 1 | 0 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
| 3-methyl-2-butenal 3-methylbut-2-enal : An enal consisting of but-2-ene with a methyl substituent at position 3 and an oxo group at position 1. | 2.15 | 1 | 0 | enal | metabolite |
| plerixafor plerixafor: a bicyclam derivate, highly potent & selective inhibitor of HIV-1 & HIV-2. plerixafor : An azamacrocycle consisting of two cyclam rings connected by a 1,4-phenylenebis(methylene) linker. It is a CXCR4 chemokine receptor antagonist and a hematopoietic stem cell mobilizer. It is used in combination with grulocyte-colony stimulating factor (G-CSF) to mobilize hematopoietic stem cells to the perpheral blood for collection and subsequent autologous transplantation in patients with non-Hodgkin's lymphoma and multiple myeloma. | 2.01 | 1 | 0 | azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound | anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant |
| 2'-deoxyuridylic acid 2'-deoxyuridylic acid: RN given refers to parent cpd | 1.96 | 1 | 0 | deoxyuridine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-monophosphate | Escherichia coli metabolite; metabolite; mouse metabolite |
| aristeromycin aristeromycin: RN given refers to (1R-(1alpha,2alpha,3beta,5alpha)-isomer | 1.98 | 1 | 0 | ||
| benzeneboronic acid [no description available] | 2.08 | 1 | 0 | boronic acids | |
| alpha-methylene gamma-butyrolactone alpha-methylene gamma-butyrolactone : A butan-4-olide having a methylene group at the 3-position. | 2.52 | 2 | 0 | butan-4-olide | anti-ulcer drug; gastrointestinal drug |
| hydroxyurea diethyl diallylmalonate: structure in first source | 2.11 | 1 | 0 | fatty acid ester | |
| 1,5-cod 1,5-cyclooctadiene: used in production of Nylon | 2.11 | 1 | 0 | ||
| coenzyme a [no description available] | 2 | 1 | 0 | adenosine 3',5'-bisphosphate | coenzyme; Escherichia coli metabolite; mouse metabolite |
| 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. | 3.42 | 1 | 1 | cobalt group element atom; metal allergen | micronutrient |
| tris(2-carboxyethyl)phosphine tris(2-carboxyethyl)phosphine: water-soluble reagent which irreversibly reduces disulfides to thiols at room temperature & is active below neutral pH; used for quantitation of iodine and iodate. TCEP : A tertiary phosphine in which phosphane is substituted with three 2-carboxyethyl groups. It is a commonly used reducing agent. | 2.03 | 1 | 0 | phosphine derivative; tricarboxylic acid | reducing agent |
| 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). | 2.11 | 1 | 0 | carbene; methanediyl | |
| sperm motility inhibitor 2 [no description available] | 2.08 | 1 | 0 | ||
| 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. | 2.04 | 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. | 2.48 | 2 | 0 | oxygen hydride; oxygen radical; reactive oxygen species | |
| n-phenylacrylamide N-phenylacrylamide: structure in first source | 2.15 | 1 | 0 | ||
| wortmannin [no description available] | 2.15 | 1 | 0 | acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound | anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent |
| dihydropyridines Dihydropyridines: Pyridine moieties which are partially saturated by the addition of two hydrogen atoms in any position. | 2.07 | 1 | 0 | ||
| amylopectin Amylopectin: A highly branched glucan in starch.. amylopectin : A polydisperse highly branched polysaccharide derivative composed of chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage. The chains are joined together by alpha(1->6) glycosidic linkages. A small number of alpha(1->3) glycosidic linkages and some 6-phosphate ester groups also may occur. The branches in amylopectin typically contain 24 to 30 glucose residues. | 7.21 | 1 | 0 | ||
| glucosamine D-glucosamine : An amino sugar whose structure comprises D-glucose having an amino substituent at position 2.. 2-amino-2-deoxy-D-glucopyranose : A D-glucosamine whose structure comprises D-glucopyranose having an amino substituent at position 2. | 2.1 | 1 | 0 | D-glucosamine | Escherichia coli metabolite; geroprotector; mouse metabolite |
| vernolepin [no description available] | 2.15 | 1 | 0 | delta-lactone | |
| resveratrol trans-resveratrol : A resveratrol in which the double bond has E configuration. | 3.42 | 1 | 1 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
| 5-fluoro-2'-deoxycytidine 5-fluoro-2'-deoxycytidine: structure | 3.42 | 1 | 1 | ||
| sodium acetate, anhydrous Sodium Acetate: The trihydrate sodium salt of acetic acid, which is used as a source of sodium ions in solutions for dialysis and as a systemic and urinary alkalizer, diuretic, and expectorant. | 1.99 | 1 | 0 | organic sodium salt | NMR chemical shift reference compound |
| bromochloroacetic acid Keratins: A class of fibrous proteins or scleroproteins that represents the principal constituent of EPIDERMIS; HAIR; NAILS; horny tissues, and the organic matrix of tooth ENAMEL. Two major conformational groups have been characterized, alpha-keratin, whose peptide backbone forms a coiled-coil alpha helical structure consisting of TYPE I KERATIN and a TYPE II KERATIN, and beta-keratin, whose backbone forms a zigzag or pleated sheet structure. alpha-Keratins have been classified into at least 20 subtypes. In addition multiple isoforms of subtypes have been found which may be due to GENE DUPLICATION.. bromochloroacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by bromine while a second is replaced by chlorine. A low-melting (27.5-31.5degreeC), hygroscopic crystalline solid, it can be formed during the disinfection (by chlorination) of water that contains bromide ions and organic matter, so can occur in drinking water as a byproduct of the disinfection process. | 2.06 | 1 | 0 | 2-bromocarboxylic acid; monocarboxylic acid; organochlorine compound | |
| cinnamaldehyde 3-phenylprop-2-enal : A member of the class of cinnamaldehydes that is prop-2-enal in which a hydrogen at position 3 has been replaced by a phenyl group. The configuration of the double bond is not specified; the name "cinnamaldehyde" is widely used to refer to the E (trans) isomer.. (E)-cinnamaldehyde : The E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes. | 2.15 | 1 | 0 | 3-phenylprop-2-enal; cinnamaldehydes | antifungal agent; EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor; flavouring agent; hypoglycemic agent; plant metabolite; sensitiser; vasodilator agent |
| dimethyl fumarate [no description available] | 2.46 | 2 | 0 | diester; enoate ester; methyl ester | antipsoriatic; immunomodulator |
| chalcone trans-chalcone : The trans-isomer of chalcone. | 2.15 | 1 | 0 | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
| dibenzylidene acetone dibenzylidene acetone: structure in first source | 2.15 | 1 | 0 | ||
| omapatrilat omapatrilat: structure in first source | 2.4 | 2 | 0 | dipeptide | |
| curcumin Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.. curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa. | 2.55 | 2 | 0 | aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger |
| thiourea Thiourea: A photographic fixative used also in the manufacture of resins. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance may reasonably be anticipated to be a carcinogen (Merck Index, 9th ed). Many of its derivatives are ANTITHYROID AGENTS and/or FREE RADICAL SCAVENGERS.. thiourea : The simplest member of the thiourea class, consisting of urea with the oxygen atom substituted by sulfur. | 2.1 | 1 | 0 | one-carbon compound; thioureas; ureas | antioxidant; chromophore |
| tempo TEMPO: structure. TEMPO : A member of the class of aminoxyls that is piperidine that carries an oxidanediyl group at position 1 and methyl groups at positions 2, 2, 6, and 6, respectively. | 2.31 | 1 | 0 | aminoxyls; piperidines | catalyst; ferroptosis inhibitor; radical scavenger |
| 1,1-diphenyl-2-picrylhydrazyl 1,1-diphenyl-2-picrylhydrazyl: A diphenyl picrate; the ability to decolorize this stable radical indicates reactivity of tested compounds (Banda, Anal Chem 46:1772-7 1974) | 2.21 | 1 | 0 | ||
| lithium Lithium: An element in the alkali metals family. It has the atomic symbol Li, atomic number 3, and atomic weight [6.938; 6.997]. Salts of lithium are used in treating BIPOLAR DISORDER. | 2.07 | 1 | 0 | alkali metal atom | |
| cobaltous chloride cobaltous chloride: RN given refers to unlabeled cpd; RN in Chemline for cobalt trichloride: 10241-04-0; RN for 60-labeled cpd: 14543-09-0; RN for 57-labeled cpd: 164113-89-1; RN for 58-labeled cpd: 29377-09-1; structure. cobalt dichloride : A cobalt salt in which the cobalt metal is in the +2 oxidation state and the counter-anion is chloride. It is used as an indicator for water in desiccants. | 3.42 | 1 | 1 | cobalt salt; inorganic chloride | allergen; calcium channel blocker; sensitiser; two-colour indicator |
| dimethyl maleate dimethyl maleate: structure. dimethyl maleate : A maleate ester resulting from the formal condensation of both carboxy groups of maleic acid with methanol. It is commonly used as a dienophile for Diels-Alder-type cycloaddition reactions in organic synthesis. | 2.05 | 1 | 0 | diester; maleate ester; methyl ester | |
| diethyl maleate diethyl maleate : A maleate ester resulting from the formal condensation of both carboxy groups of maleic acid with ethanol. A colourless liquid at room temperature (m.p. -10degreeC) with boiling point 220degreeC at 1 atm., it is commonly used as a dienophile for Diels-Alder-type cycloaddition reactions in organic synthesis. | 2.05 | 1 | 0 | ethyl ester; maleate ester | glutathione depleting agent |
| ubiquinone 9 ubiquinone 9: a form of coenzyme Q found in many foods; RN given refers to (all-E)-isomer | 3.42 | 1 | 1 | ubiquinones | antioxidant; human metabolite |
| rutin Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders. | 2.05 | 1 | 0 | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
| amphotericin b Amphotericin B: Macrolide antifungal antibiotic produced by Streptomyces nodosus obtained from soil of the Orinoco river region of Venezuela.. amphotericin B : A macrolide antibiotic used to treat potentially life-threatening fungal infections. | 1.95 | 1 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
| 2-octenal 2-octenal: RN given refers to cpd without isomeric designation. (E)-oct-2-enal : The (E)-isomer of oct-2-enal.. oct-2-enal : An enal consisting of oct-2-ene having an oxo group at the 1-position. | 2.15 | 1 | 0 | oct-2-enal | antifungal agent; volatile oil component |
| 15-deoxy-delta(12,14)-prostaglandin j2 15-deoxy-delta(12,14)-prostaglandin J2: 15-deoxy-PGJ2 is also available; check for double bonds (indicated by delta) at 12 and 14 positions. 15-deoxy-Delta(12,14)-prostaglandin J2 : A prostaglandin J derivative comprising prostaglandin J2 lacking the 15-hydroxy group and having C=C double bonds at the 12- and 14-positions. | 2.15 | 1 | 0 | prostaglandins J | electrophilic reagent; insulin-sensitizing drug; metabolite |
| lead Lead: A soft, grayish metal with poisonous salts; atomic number 82, atomic weight 207.2, symbol Pb. | 2.05 | 1 | 0 | carbon group element atom; elemental lead; metal atom | neurotoxin |
| methyl ricinoleate methyl ricinoleate: structure | 7.05 | 1 | 0 | aliphatic alcohol | |
| arsenic Arsenic: A shiny gray element with atomic symbol As, atomic number 33, and atomic weight 75. It occurs throughout the universe, mostly in the form of metallic arsenides. Most forms are toxic. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), arsenic and certain arsenic compounds have been listed as known carcinogens. (From Merck Index, 11th ed) | 2.11 | 1 | 0 | metalloid atom; pnictogen | micronutrient |
| 2-pentenal 2-pentenal: RN given refers to cpd without isomeric designation. 2-pentenal : An enal consisting of pent-2-ene having an oxo group at the 1-position. (E)-2-pentenal : A 2-pentenal in which the double bond has (E)-configuration. It is found in cigarette smoke, virgin olive oil, and milk. | 2.15 | 1 | 0 | 2-pentenal | plant metabolite |
| puerarin [no description available] | 2.05 | 1 | 0 | C-glycosyl compound; isoflavonoid | |
| fumarates Fumarates: Compounds based on fumaric acid.. fumarate(2-) : A C4-dicarboxylate that is the E-isomer of but-2-enedioate(2-) | 2.46 | 2 | 0 | butenedioate; C4-dicarboxylate | human metabolite; metabolite; Saccharomyces cerevisiae 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. | 2.47 | 2 | 0 | cysteinium | fundamental metabolite |
| silicon Silicon: A trace element that constitutes about 27.6% of the earth's crust in the form of SILICON DIOXIDE. It does not occur free in nature. Silicon has the atomic symbol Si, atomic number 14, and atomic weight [28.084; 28.086]. | 2.06 | 1 | 0 | carbon group element atom; metalloid atom; nonmetal atom | |
| arglabin arglabin: a sesquiterpene lactone from the Chinese herb Artemisia myriantha; structure given in first source. arglabin : An organic heterotetracyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-dimethyl-1,3a,4,5,6,7-hexahydroazulen-5-yl group in which the double bond in the 7-membered ring has been epoxidised and in which the hydroxy group and the carboxy group have undergone formal condensation to give the corresponding gamma-lactone. It is found in Artemisia glabella. Arglabin-DMA HCl, the hydrochloride salt of the adduct resulting from the conjugate addition of dimethylamine to the ene-lactone moiety, has been successfully used in Khazakhstan for the treatment of breast, colon, ovarian and lung cancers. | 2.15 | 1 | 0 | epoxide; gamma-lactone; organic heterotetracyclic compound; sesquiterpene lactone | antineoplastic agent; metabolite |
| 9-oxo-15-hydroxy-delta 7,10,13-prostatrienoic acid methyl ester [no description available] | 2.15 | 1 | 0 | ||
| androst-16-en-3-one androst-16-en-3-one: boar taint steroid; RN given refers to (5alpha)-isomer. 5alpha-androst-16-en-3-one : An androstanoid that is 5alpha-androst-16-ene substituted by an oxo group at position 3. It is a steroid pheromone found in high concentrations in the saliva of male pigs,. | 1.99 | 1 | 0 | 3-oxo steroid; androstanoid | mammalian metabolite; pheromone |
| ci 940 leptomycin : A complex, very long chain, polyunsaturated fatty acid whose core structure comprises 8-oxononadeca-2,10,12,16,18-pentaenoic acid having methyl substituents at positions 3, 5, 7, 9, 11 and 15 and a 3,6-dihydropyran-6-one-2-yl group at position 19. | 2.15 | 1 | 0 | hydroxy polyunsaturated fatty acid; leptomycin | antifungal agent; bacterial metabolite |
| dalcetrapib dalcetrapib: inhibits cholesteryl ester transfer protein (CETP) | 2.17 | 1 | 0 | anilide | |
| fr 148083 5Z-7-oxozeaenol : A macrolide that is the 7-oxo derivative of zeaenol (the 5Z stereoisomer). Isolated from Fungi, it exhibits cytotoxic, antibacterial and inhibitory activity against NF-kappaB. | 2.15 | 1 | 0 | aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone | antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor |
| aluminum oxide Aluminum Oxide: An oxide of aluminum, occurring in nature as various minerals such as bauxite, corundum, etc. It is used as an adsorbent, desiccating agent, and catalyst, and in the manufacture of dental cements and refractories. | 2.13 | 1 | 0 | ||
| n,o-dimethacryloylhydroxylamine N,O-dimethacryloylhydroxylamine: was obtained in the form of slabs by bulk radical polymerization | 2.05 | 1 | 0 | ||
| candicidin Candicidin: Mixture of antifungal heptaene macrolides from Streptomyces griseus or Actinomyces levoris used topically in candidiasis. The antibiotic complex is composed of candicidins A, B, C, and D, of which D is the major component.. candicidin D : A 38-membered ring lactone containing seven (E)-double bonds between positions 22 and 35 and substituted by hydroxy groups at positions 9, 11, 13, 17 and 19, oxo groups at positions 3, 7 and 15, a carboxy group at position 18, a 3-amino-3,6-dideoxymannopyranosyloxy group at position 21, a methyl group at position 36 and a 7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl group at position 37. It is the major component of candicidin, a mixture of antifungal heptaene macrolides obtained from a strain of Streptomyces griseus.. candicidin : A mixture of the antifungal heptaene macrolides obtained from a strain of Streptomyces griseus. It is composed of candicidins A, B, C and D, with candicidin D being the major component. Candicidin is active against some fungi of the genus Candida, and has been used in the treatment of vaginal candidiasis. | 1.95 | 1 | 0 | macrolide antibiotic; polyene antibiotic | antifungal drug; bacterial metabolite |
| pyrrocidine a pyrrocidine A: an antifungal antibiotic isolated from Acremonium zeae; structure in first souce | 2.15 | 1 | 0 | ||
| epiquinamide epiquinamide: quinolizidine alkaloid and nicotinic agonist from an Ecuadoran poison frog, Epipedobates tricolor; structure in first source | 2.08 | 1 | 0 | ||
| acid phosphatase Acid Phosphatase: An enzyme that catalyzes the conversion of an orthophosphoric monoester and water to an alcohol and orthophosphate. EC 3.1.3.2. | 1.97 | 1 | 0 | ||
| tetrahydrouridine Tetrahydrouridine: An inhibitor of nucleotide metabolism. | 3.42 | 1 | 1 | ||
| aflatoxin m1 Aflatoxin M1: A 4-hydroxylated metabolite of AFLATOXIN B1, one of the MYCOTOXINS from ASPERGILLUS tainted food. It is associated with LIVER damage and cancer resulting from its P450 activation to the epoxide which alkylates DNA. Toxicity depends on the balance of liver enzymes that activate it (CYTOCHROME P-450) and others that detoxify it (GLUTATHIONE S TRANSFERASE) (Pharmac Ther 50.443 1991). Primates & rat are sensitive while mouse and hamster are tolerant (Canc Res 29.236 1969).. aflatoxin M1 : A member of the class of aflatoxins that is aflatoxin B1 in which the hydrogen at position 9a is replaced by a hydroxy group. | 3.42 | 1 | 1 | aflatoxin; aromatic ether; aromatic ketone; tertiary alcohol | Aspergillus metabolite; human xenobiotic metabolite; mammalian metabolite |
| nad NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety. | 2.07 | 1 | 0 | organophosphate oxoanion | cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite |
| calcitonin [no description available] | 2.11 | 1 | 0 | ||
| glycoprotein e2, hepatitis c virus glycoprotein E2, Hepatitis C virus: RN refers to quasispecies 4E; amino acid sequence known; caution: HCV also stands for hog cholera virus | 3.42 | 1 | 1 | ||
| cellulose DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications. | 3.02 | 4 | 0 | glycoside | |
| ubiquinone Ubiquinone: A lipid-soluble benzoquinone which is involved in ELECTRON TRANSPORT in mitochondrial preparations. The compound occurs in the majority of aerobic organisms, from bacteria to higher plants and animals. | 3.42 | 1 | 1 | ||
| lucifer yellow lucifer yellow: RN given refers to di-Li salt | 2.13 | 1 | 0 | organic lithium salt | fluorochrome |
| chitosan [no description available] | 7.57 | 2 | 0 | ||
| cardiovascular agents Cardiovascular Agents: Agents that affect the rate or intensity of cardiac contraction, blood vessel diameter, or blood volume. | 2.4 | 2 | 0 | ||
| mannans [no description available] | 2.46 | 2 | 0 | ||
| colistin Colistin: Cyclic polypeptide antibiotic from Bacillus colistinus. It is composed of Polymyxins E1 and E2 (or Colistins A, B, and C) which act as detergents on cell membranes. Colistin is less toxic than Polymyxin B, but otherwise similar; the methanesulfonate is used orally.. colistin : A multi-component mixture comprising mostly of colistin A (R = Me) and B (R = H), with small amounts of colistin C and other polymyxins, produced by certain strains of Bacillus polymyxa var. colistinus. An antibiotic, it is used as its sulfate salt (for oral or topical use) or as the sodium salt of the N-methylsulfonic acid derivative (the injectable form) in the treatment of severe Gram-negative infections, partiularly those due to Pseudomonas aeruginosa. | 2.15 | 1 | 0 | ||
| tetracycline Tetracycline: A naphthacene antibiotic that inhibits AMINO ACYL TRNA binding during protein synthesis.. tetracycline : A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria. | 2.15 | 1 | 0 | ||
| rociletinib rociletinib: inhibits epidermal growth factor receptor tyrosine kinase activity; structure in first source | 2.15 | 1 | 0 | ||
| osimertinib osimertinib: an EGFR tyrosine kinase inhibitor. osimertinib : A member of the class of aminopyrimidines that is 4-(1-methylindol-3-yl)pyrimidin-2-amine in which one of the amino hydrogens is replaced by a 2-methoxy-4-[2-(dimethylamino)ethyl](methyl)amino-5-acrylamidophenyl group. Used (as the mesylate salt) for treatment of EGFR T790M mutation positive non-small cell lung cancer. | 2.15 | 1 | 0 | acrylamides; aminopyrimidine; biaryl; indoles; monomethoxybenzene; secondary amino compound; secondary carboxamide; substituted aniline; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
| praliciguat praliciguat: soluble guanylate cyclase stimulator. praliciguat : A member of the class of pyrazoles that is 5-fluoro-2-(1H-pyrazol-3-yl)pyrimidine which is substituted by a 2-fluorobenzyl group at position 1, 1,2-oxazol-3-yl group at position 5, and by a [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]nitrilo group at position 4. It is a soluble guanylate cyclase stimulator under clinical development for the treatment of heart failure with preserved ejection fraction. | 3.42 | 1 | 1 | aminopyrimidine; isoxazoles; monofluorobenzenes; organofluorine compound; pyrazoles; secondary amino compound; tertiary alcohol | anti-inflammatory agent; antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent |
| orabase Orabase: used in therapy of oral mucosal ulcers | 2.15 | 1 | 0 | ||
| muramidase Muramidase: A basic enzyme that is present in saliva, tears, egg white, and many animal fluids. It functions as an antibacterial agent. The enzyme catalyzes the hydrolysis of 1,4-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrin. EC 3.2.1.17. | 2 | 1 | 0 | ||
| 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. | 7.53 | 2 | 0 | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
| concanavalin a Concanavalin A: A MANNOSE/GLUCOSE binding lectin isolated from the jack bean (Canavalia ensiformis). It is a potent mitogen used to stimulate cell proliferation in lymphocytes, primarily T-lymphocyte, cultures. | 2.1 | 1 | 0 |
| Condition | Indicated | Relationship Strength | Studies | Trials |
|---|---|---|---|---|
| Gastric Outlet Obstruction The hindering of output from the STOMACH into the SMALL INTESTINE. This obstruction may be of mechanical or functional origin such as EDEMA from PEPTIC ULCER; NEOPLASMS; FOREIGN BODIES; or AGING. | 0 | 3.42 | 1 | 1 |
| Cardiometabolic Syndrome A cluster of symptoms that are risk factors for CARDIOVASCULAR DISEASES and TYPE 2 DIABETES MELLITUS. The major components not only include metabolic dysfunctions of METABOLIC SYNDROME but also HYPERTENSION, and ABDOMINAL OBESITY. | 0 | 3.42 | 1 | 1 |
| Fatty Liver, Nonalcoholic [description not available] | 0 | 3.42 | 1 | 1 |
| Breast Cancer [description not available] | 0 | 10.71 | 5 | 4 |
| Cancer of Colon [description not available] | 0 | 3.42 | 1 | 1 |
| Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases. | 0 | 3.42 | 1 | 1 |
| Glial Cell Tumors [description not available] | 0 | 3.42 | 1 | 1 |
| Cancer of Liver [description not available] | 0 | 3.42 | 1 | 1 |
| Infections, Plasmodium [description not available] | 0 | 3.42 | 1 | 1 |
| Cells, Neoplasm Circulating [description not available] | 0 | 3.42 | 1 | 1 |
| Benign Neoplasms [description not available] | 0 | 3.86 | 2 | 1 |
| Morbid Obesity [description not available] | 0 | 5.51 | 4 | 4 |
| Cancer of Pancreas [description not available] | 0 | 3.42 | 1 | 1 |
| Complication, Postoperative [description not available] | 0 | 5.9 | 5 | 5 |
| Cancer of Prostate [description not available] | 0 | 5.51 | 4 | 4 |
| Cancer of Stomach [description not available] | 0 | 5.51 | 4 | 4 |
| Leanness [description not available] | 0 | 3.42 | 1 | 1 |
| Thrombopenia [description not available] | 0 | 3.42 | 1 | 1 |
| Cancer of the Urinary Tract [description not available] | 0 | 3.42 | 1 | 1 |
| Infections, Helicobacter [description not available] | 0 | 3.42 | 1 | 1 |
| Anemia, Splenic [description not available] | 0 | 3.42 | 1 | 1 |
| Infection, Postoperative Wound [description not available] | 0 | 3.42 | 1 | 1 |
| Local Neoplasm Recurrence [description not available] | 0 | 5.51 | 4 | 4 |
| Invasiveness, Neoplasm [description not available] | 0 | 3.42 | 1 | 1 |
| Breast Neoplasms Tumors or cancer of the human BREAST. | 0 | 5.71 | 5 | 4 |
| Carcinoma, Transitional Cell A malignant neoplasm derived from TRANSITIONAL EPITHELIAL CELLS, occurring chiefly in the URINARY BLADDER; URETERS; or RENAL PELVIS. | 0 | 3.42 | 1 | 1 |
| Colonic Neoplasms Tumors or cancer of the COLON. | 0 | 3.42 | 1 | 1 |
| Glioma Benign and malignant central nervous system neoplasms derived from glial cells (i.e., astrocytes, oligodendrocytes, and ependymocytes). Astrocytes may give rise to astrocytomas (ASTROCYTOMA) or glioblastoma multiforme (see GLIOBLASTOMA). Oligodendrocytes give rise to oligodendrogliomas (OLIGODENDROGLIOMA) and ependymocytes may undergo transformation to become EPENDYMOMA; CHOROID PLEXUS NEOPLASMS; or colloid cysts of the third ventricle. (From Escourolle et al., Manual of Basic Neuropathology, 2nd ed, p21) | 0 | 3.42 | 1 | 1 |
| Liver Neoplasms Tumors or cancer of the LIVER. | 0 | 3.42 | 1 | 1 |
| Malaria A protozoan disease caused in humans by four species of the PLASMODIUM genus: PLASMODIUM FALCIPARUM; PLASMODIUM VIVAX; PLASMODIUM OVALE; and PLASMODIUM MALARIAE; and transmitted by the bite of an infected female mosquito of the genus ANOPHELES. Malaria is endemic in parts of Asia, Africa, Central and South America, Oceania, and certain Caribbean islands. It is characterized by extreme exhaustion associated with paroxysms of high FEVER; SWEATING; shaking CHILLS; and ANEMIA. Malaria in ANIMALS is caused by other species of plasmodia. | 0 | 3.42 | 1 | 1 |
| 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 | 3.86 | 2 | 1 |
| Obesity A status with BODY WEIGHT that is grossly above the recommended standards, usually due to accumulation of excess FATS in the body. The standards may vary with age, sex, genetic or cultural background. In the BODY MASS INDEX, a BMI greater than 30.0 kg/m2 is considered obese, and a BMI greater than 40.0 kg/m2 is considered morbidly obese (MORBID OBESITY). | 0 | 3.42 | 1 | 1 |
| Obesity, Morbid The condition of weighing two, three, or more times the ideal weight, so called because it is associated with many serious and life-threatening disorders. In the BODY MASS INDEX, morbid obesity is defined as having a BMI greater than 40.0 kg/m2. | 0 | 5.51 | 4 | 4 |
| Pancreatic Neoplasms Tumors or cancer of the PANCREAS. Depending on the types of ISLET CELLS present in the tumors, various hormones can be secreted: GLUCAGON from PANCREATIC ALPHA CELLS; INSULIN from PANCREATIC BETA CELLS; and SOMATOSTATIN from the SOMATOSTATIN-SECRETING CELLS. Most are malignant except the insulin-producing tumors (INSULINOMA). | 0 | 3.42 | 1 | 1 |
| Postoperative Complications Pathologic processes that affect patients after a surgical procedure. They may or may not be related to the disease for which the surgery was done, and they may or may not be direct results of the surgery. | 0 | 5.9 | 5 | 5 |
| Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH. | 0 | 3.79 | 2 | 1 |
| Prostatic Neoplasms Tumors or cancer of the PROSTATE. | 0 | 5.51 | 4 | 4 |
| Stomach Neoplasms Tumors or cancer of the STOMACH. | 0 | 5.51 | 4 | 4 |
| Thrombocytopenia A subnormal level of BLOOD PLATELETS. | 0 | 3.42 | 1 | 1 |
| Helicobacter Infections Infections with organisms of the genus HELICOBACTER, particularly, in humans, HELICOBACTER PYLORI. The clinical manifestations are focused in the stomach, usually the gastric mucosa and antrum, and the upper duodenum. This infection plays a major role in the pathogenesis of type B gastritis and peptic ulcer disease. | 0 | 3.42 | 1 | 1 |
| Metabolic Syndrome A cluster of symptoms that are risk factors for CARDIOVASCULAR DISEASES and TYPE 2 DIABETES MELLITUS. The major components of metabolic syndrome include ABDOMINAL OBESITY; atherogenic DYSLIPIDEMIA; HYPERTENSION; HYPERGLYCEMIA; INSULIN RESISTANCE; a proinflammatory state; and a prothrombotic (THROMBOSIS) state. | 0 | 3.42 | 1 | 1 |
| Non-alcoholic Fatty Liver Disease Fatty liver finding without excessive ALCOHOL CONSUMPTION. | 0 | 3.42 | 1 | 1 |
| Carcinoma, Epidermoid [description not available] | 0 | 3.23 | 1 | 0 |
| Cancer of Nose [description not available] | 0 | 3.23 | 1 | 0 |
| Carcinoma, Squamous Cell A carcinoma derived from stratified SQUAMOUS EPITHELIAL CELLS. It may also occur in sites where glandular or columnar epithelium is normally present. (From Stedman, 25th ed) | 0 | 3.23 | 1 | 0 |
| Extravascular Hemolysis [description not available] | 0 | 2.21 | 1 | 0 |
| Hemolysis The destruction of ERYTHROCYTES by many different causal agents such as antibodies, bacteria, chemicals, temperature, and changes in tonicity. | 0 | 2.21 | 1 | 0 |
| Electrolytes Substances that dissociate into two or more ions, to some extent, in water. Solutions of electrolytes thus conduct an electric current and can be decomposed by it (ELECTROLYSIS). (Grant & Hackh's Chemical Dictionary, 5th ed) | 0 | 2.21 | 1 | 0 |
| Cancer of Ovary [description not available] | 0 | 2.08 | 1 | 0 |
| Ovarian Neoplasms Tumors or cancer of the OVARY. These neoplasms can be benign or malignant. They are classified according to the tissue of origin, such as the surface EPITHELIUM, the stromal endocrine cells, and the totipotent GERM CELLS. | 0 | 2.08 | 1 | 0 |
| Innate Inflammatory Response [description not available] | 0 | 2.52 | 2 | 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 | 2.52 | 2 | 0 |
| Periimplantitis [description not available] | 0 | 2.11 | 1 | 0 |
| Peri-Implantitis An inflammatory process with loss of supporting bone in the tissues surrounding functioning DENTAL IMPLANTS. | 0 | 2.11 | 1 | 0 |
| Allergic Contact Dermatitis [description not available] | 0 | 2.42 | 2 | 0 |
| Dermatitis, Allergic Contact A contact dermatitis due to allergic sensitization to various substances. These substances subsequently produce inflammatory reactions in the skin of those who have acquired hypersensitivity to them as a result of prior exposure. | 0 | 2.42 | 2 | 0 |
| Glaucoma An ocular disease, occurring in many forms, having as its primary characteristics an unstable or a sustained increase in the intraocular pressure which the eye cannot withstand without damage to its structure or impairment of its function. The consequences of the increased pressure may be manifested in a variety of symptoms, depending upon type and severity, such as excavation of the optic disk, hardness of the eyeball, corneal anesthesia, reduced visual acuity, seeing of colored halos around lights, disturbed dark adaptation, visual field defects, and headaches. (Dictionary of Visual Science, 4th ed) | 0 | 2.05 | 1 | 0 |
| Leishmania Infection [description not available] | 0 | 2.05 | 1 | 0 |
| Leishmaniasis A disease caused by any of a number of species of protozoa in the genus LEISHMANIA. There are four major clinical types of this infection: cutaneous (Old and New World) (LEISHMANIASIS, CUTANEOUS), diffuse cutaneous (LEISHMANIASIS, DIFFUSE CUTANEOUS), mucocutaneous (LEISHMANIASIS, MUCOCUTANEOUS), and visceral (LEISHMANIASIS, VISCERAL). | 0 | 2.05 | 1 | 0 |
| Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed) | 0 | 2.69 | 3 | 0 |
| Recrudescence [description not available] | 0 | 3.42 | 1 | 1 |
| Cataract, Membranous [description not available] | 0 | 3.42 | 1 | 1 |
| Ametropia [description not available] | 0 | 3.42 | 1 | 1 |
| Cataract Partial or complete opacity on or in the lens or capsule of one or both eyes, impairing vision or causing blindness. The many kinds of cataract are classified by their morphology (size, shape, location) or etiology (cause and time of occurrence). (Dorland, 27th ed) | 0 | 3.42 | 1 | 1 |
| Refractive Errors Deviations from the average or standard indices of refraction of the eye through its dioptric or refractive apparatus. | 0 | 3.42 | 1 | 1 |
| Encephalopathy, Toxic [description not available] | 0 | 2.03 | 1 | 0 |
| Alveolitis, Fibrosing [description not available] | 0 | 1.96 | 1 | 0 |
| Pulmonary Fibrosis A process in which normal lung tissues are progressively replaced by FIBROBLASTS and COLLAGEN causing an irreversible loss of the ability to transfer oxygen into the bloodstream via PULMONARY ALVEOLI. Patients show progressive DYSPNEA finally resulting in death. | 0 | 1.96 | 1 | 0 |
| Abnormalities, Autosome [description not available] | 0 | 1.96 | 1 | 0 |
| Allergy, Drug [description not available] | 0 | 2.91 | 1 | 0 |
| Drug Hypersensitivity Immunologically mediated adverse reactions to medicinal substances used legally or illegally. | 0 | 2.91 | 1 | 0 |
| Colitis Gravis [description not available] | 0 | 2 | 1 | 0 |
| Colitis, Ulcerative Inflammation of the COLON that is predominantly confined to the MUCOSA. Its major symptoms include DIARRHEA, rectal BLEEDING, the passage of MUCUS, and ABDOMINAL PAIN. | 0 | 2 | 1 | 0 |
| Germinoblastoma [description not available] | 0 | 1.97 | 1 | 0 |
| Lymphoma A general term for various neoplastic diseases of the lymphoid tissue. | 0 | 1.97 | 1 | 0 |
| Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms. | 0 | 2.37 | 2 | 0 |
| Experimental Neoplasms [description not available] | 0 | 1.97 | 1 | 0 |
| Anasarca [description not available] | 0 | 1.96 | 1 | 0 |
| Gastric Ulcer [description not available] | 0 | 1.96 | 1 | 0 |
| Edema Abnormal fluid accumulation in TISSUES or body cavities. Most cases of edema are present under the SKIN in SUBCUTANEOUS TISSUE. | 0 | 1.96 | 1 | 0 |
| Stomach Ulcer Ulceration of the GASTRIC MUCOSA due to contact with GASTRIC JUICE. It is often associated with HELICOBACTER PYLORI infection or consumption of nonsteroidal anti-inflammatory drugs (NSAIDS). | 0 | 1.96 | 1 | 0 |