| ID Source | ID |
|---|---|
| PubMed CID | 32932 |
| MeSH ID | M0000718 |
| Synonym |
|---|
| pentylene |
| einecs 246-916-6 |
| hsdb 5157 |
| un1108 |
| 1-pentene [un1108] [flammable liquid] |
| n-amylene [un1108] [flammable liquid] |
| alkenes , |
| 4jm12e034x , |
| ec 246-916-6 |
| unii-4jm12e034x |
Alkenes are an important class of compounds common among biologically active molecules. They often are used as intermediates in organic synthesis. Alkenes expected to be a significant component of these films.
| Excerpt | Reference | Relevance |
|---|---|---|
| "Alkenes are an important class of compounds common among biologically active molecules and often are used as intermediates in organic synthesis. " | ( Synthesis of Isomerically Pure ( Goodstein, MB; Lalic, G; Lee, MT, 2019) | 1.96 |
| "Alkenes are expected to be a significant component of these films, with the reaction with O" | ( Quantification of alkenes on indoor surfaces and implications for chemical sources and sinks. Deming, BL; Ziemann, PJ, 2020) | 1.61 |
| Excerpt | Reference | Relevance |
|---|---|---|
| "Treatment of alkenes such as 3-hexene, 3-octene, and 1-cyclohexyl-1-butene with the N-heterocyclic carbene (NHC)-derived borane 2 and catalytic HNTf(2) (Tf = trifluoromethanesulfonyl (CF(3)SO(2))) effects hydroboration at room temperature. " | ( Borenium ion catalyzed hydroboration of alkenes with N-heterocyclic carbene-boranes. Bonin, H; Boussonnière, A; Curran, DP; Lacôte, E; Li, L; Prokofjevs, A; Vedejs, E, 2012) | 1.02 |
| Excerpt | Reference | Relevance |
|---|---|---|
| " There were no adverse clinical signs, and survival rates were not affected by treatment with AOS." | ( Long-term toxicity of the surfactant alpha-olefin sulphonate (AOS) in the rat. Benson, HG; Hunter, B, 1976) | 0.26 |
| " Human BFU-e were greatly inhibited by PZDH, whereas murine BFU-e were relatively resistant to its toxic effects." | ( Comparative toxicity of fostriecin, hepsulfam and pyrazine diazohydroxide to human and murine hematopoietic progenitor cells in vitro. Du, DL; Grieshaber, CK; Murphy, MJ; Volpe, DA, 1991) | 0.28 |
| " The compound given by gavage in olive oil at doses of 25-200 mg/kg causes toxic effects on the pancreas that resemble those seen when naturally occurring CHB is given to rats." | ( The acute pancreatotoxic effects of the plant nitrile 1-cyano-2-hydroxy-3-butene. Barrowman, JA; Chernenko, G; Maher, M, 1991) | 0.28 |
| " CHB is also a possible inducer of tissue glutathione in the liver and kidneys as well as in the pancreas, even at toxic doses." | ( Selective pancreato-toxicity in the rat induced by the naturally occurring plant nitrile 1-cyano-2-hydroxy-3-butene. Fettman, MJ; Gould, DH; Wallig, MA, 1988) | 0.27 |
| " Comparison and collation of these two cases with other reports leads to the conclusion that polypropylene suture is safe in most situations, but care must be taken to avoid instrumentation trauma and kinking stresses at knots, which probably explain most of the reported cases of polypropylene failure." | ( Polypropylene suture--is it safe? Calhoun, TR; Kitten, CM, 1986) | 0.27 |
| " Elevation of the LD50 values by the therapeutic regimens was shown to be an unsatisfactory measure of therapeutic efficiency, while reduction of the effect of a maximally lethal dose (LD90) to less than that of a minimally lethal dose (LD10) provided a better quantitative measure of therapeutic efficiency." | ( Quantitative studies of the effect of antagonists on the acute toxicity of organophosphates in rats. Natoff, IL; Reiff, B, 1970) | 0.25 |
| " The sensitivity of the porcine cells in detecting toxic effects corresponded favorably with in vitro systems derived from other animals." | ( Evaluation of nephrotoxicity in vitro using a suspension of highly purified porcine proximal tubular cells and characterization of the cells in primary culture. de Heer, E; Kruidering, M; Maasdam, DH; Mulder, GJ; Nagelkerke, JF; Prins, FA, ) | 0.13 |
| " The five L-cysteine conjugates tested: S-(1,2-dichlorovinyl)-L-cysteine (1,2-DCVC), S-(1,1,2,2-tetrafluoroethyl)-L-cysteine (TFEC), S-(1-chloro-1,2,2-trifluoroethyl)-L-cysteine (CTFEC), S-(1,1-dichloro-2,2-difluoroethyl)-L-cysteine (DCDFEC) and S-(1,1-dibromo-2,2-difluoroethyl)-L-cysteine (DBDFEC) were more toxic compared to the corresponding mercapturic acids." | ( Examination of the structure-toxicity relationships of L-cysteine-S-conjugates of halogenated alkenes and their corresponding mercapturic acids in rat renal tissue slices. Commandeur, JN; Gandolfi, AJ; McGuinness, S; Stijntjes, GJ; te Koppele, JM; Vermeulen, NP, 1993) | 0.51 |
| " Studies were undertaken to determine a safe inclusion rate for crambe (Crambe abyssinica) meal in broiler chick diets, and to determine the mechanism for adverse effects by investigating its constituents; 1-cyano-2-hydroxy-3-butene (CHB) and 3-butenyl glucosinolate (epi-progoitrin, E-PG)." | ( Studies on the toxic effects of crambe meal and two of its constituents, 1-cyano-2-hydroxy-3-butene (CHB) and epi-progoitrin, in broiler chick diets. Jeffery, E; Kloss, P; Parsons, C; Tumbleson, M; Wallig, M; Zhang, Y, 1996) | 0.29 |
| " MP is thus not toxic per se but elicits metabolic activation to become potentially harmful." | ( Metabolism and toxicity of 2-methylpropene (isobutene)--a review. Cornet, M; Rogiers, V, 1997) | 0.3 |
| " Previous workers showed that the reactive-sulphur-containing fragment released from S -(1,1,2,2-tetrafluoroethyl)-L-cysteine and S -(1,2-dichlorovinyl)-L-cysteine is toxic by acting as a thioacylating agent - particularly of lysine residues in nearby proteins." | ( L-alanine-glyoxylate aminotransferase II of rat kidney and liver mitochondria possesses cysteine S-conjugate beta-lyase activity: a contributing factor to the nephrotoxicity/hepatotoxicity of halogenated alkenes? Cooper, AJ; Jeitner, TM; Krasnikov, BF; Okuno, E, 2003) | 0.51 |
| " Altogether, the examples presented illustrate that natural does not equal safe and that in modern society adverse health effects, upon either acute or chronic exposure to phytochemicals, can occur as a result of use of plant- or herb-based foods, teas, or other extracts." | ( Molecular mechanisms of toxicity of important food-borne phytotoxins. Alink, GM; Boersma, MG; Martena, MJ; Rietjens, IM; Spiegelenberg, W, 2005) | 0.33 |
| " 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 |
| ", acrylamide, methylvinyl ketone, and methyl acrylate) are pervasive pollutants in human environments and new research has shown that these alpha,beta-unsaturated carbonyl derivatives are also toxic to nerve terminals." | ( Type-2 alkenes mediate synaptotoxicity in neurodegenerative diseases. Barber, DS; Gavin, T; Lopachin, RM, 2008) | 0.8 |
| " The inhibitory effect of monoterpenes was comparatively smaller than of the crude essential oil and beta-myrcene was most toxic followed by p-cymene, whereas limonene was least toxic." | ( Phytotoxicity of major constituents of the volatile oil from leaves of Artemisia scoparia Waldst. & Kit. Batish, DR; Kaur, S; Kohli, RK; Mittal, S; Singh, HP, ) | 0.13 |
| "Lipid peroxidation is one of the most important sources of endogenous toxic metabolites." | ( Quantitative structure-activity relationship for 4-hydroxy-2-alkenal induced cytotoxicity in L6 muscle cells. Caré, BR; Croze, M; Doutheau, A; Lagarde, M; Pillon, NJ; Soula, HA; Soulage, CO; Soulère, L; Vella, RE, 2010) | 0.36 |
| " The overuse of synthetic insecticides to control mosquito vectors lead to resistance, adverse environmental effects and high operational costs." | ( Chemical composition, toxicity and non-target effects of Pinus kesiya essential oil: An eco-friendly and novel larvicide against malaria, dengue and lymphatic filariasis mosquito vectors. Benelli, G; Govindarajan, M; Rajeswary, M, 2016) | 0.43 |
| " In the present study we used sum of toxic units (TUsum = ∑TUi) to assess the relative toxicity of different type-2 alkene mixtures." | ( Joint toxic effects of the type-2 alkene electrophiles. Gavin, T; Geohagen, BC; LoPachin, RM; Zhang, L, 2016) | 0.43 |
| "The use of toxic gas surrogates in organic reactions instead of the gas itself contributes to enhancing the safety, practicality, and efficiency of the reactions involved." | ( Creation of Novel Toxic Gas Surrogates and the Development of Safe and Facile Catalytic Reactions. Konishi, H, 2018) | 0.48 |
| "In the United States, the Food and Drug Administration (FDA) regulates the safe use of food ingredients, including food additives." | ( Safety Assessment of Food Additives: Case Example With Myrcene, a Synthetic Flavoring Agent. Mog, SR; Zang, YJ, 2019) | 0.51 |
| " However, the use of SA increased the risk of adverse events occurrence (P = ." | ( The efficacy and safety of salvianolic acids on acute cerebral infarction treatment: A protocol for systematic review and meta analysis. Feng, J; Hao, Y; Huang, G; Liang, Z; Ma, D; Miao, J; Wang, X; Xin, M, 2020) | 0.56 |
| " Although SA increased the risk of adverse events occurrence, these adverse events were easily controlled or disappeared spontaneously." | ( The efficacy and safety of salvianolic acids on acute cerebral infarction treatment: A protocol for systematic review and meta analysis. Feng, J; Hao, Y; Huang, G; Liang, Z; Ma, D; Miao, J; Wang, X; Xin, M, 2020) | 0.56 |
| "Single-incision, ultralightweight polypropylene meshes were safe and highly effective in the treatment of PVP." | ( Effectiveness and Safety of Posterior Vaginal Repair with Single-Incision, Ultralightweight, Monofilament Propylene Mesh: First Evidence from a Case Series with Short-Term Results. Buzzaccarini, G; Deltetto, F; Favilli, A; Vitagliano, A, 2021) | 0.62 |
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 1393 (13.34) | 18.7374 |
| 1990's | 308 (2.95) | 18.2507 |
| 2000's | 3123 (29.91) | 29.6817 |
| 2010's | 4370 (41.85) | 24.3611 |
| 2020's | 1249 (11.96) | 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 (89.13) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 26 (0.25%) | 5.53% |
| Reviews | 521 (4.92%) | 6.00% |
| Case Studies | 23 (0.22%) | 4.05% |
| Observational | 1 (0.01%) | 0.25% |
| Other | 10,018 (94.61%) | 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 |
|---|---|---|---|---|---|
| dinitrochlorobenzene Dinitrochlorobenzene: A skin irritant that may cause dermatitis of both primary and allergic types. Contact sensitization with DNCB has been used as a measure of cellular immunity. DNCB is also used as a reagent for the detection and determination of pyridine compounds.. 1-chloro-2,4-dinitrobenzene : A C-nitro compound that is chlorobenzene carrying a nitro substituent at each of the 2- and 4-positions. | 2.39 | 2 | 0 | C-nitro compound; monochlorobenzenes | allergen; epitope; sensitiser |
| ethylene dichloride ethylene dichloride: RN given refers to 1,2-isomer; structure given in first source. 1,2-dichloroethane : A member of the class of chloroethanes substituted by two chloro groups at positions 1 and 2. | 2.42 | 2 | 0 | chloroethanes | hepatotoxic agent; mutagen; non-polar solvent |
| alpha-ketobutyric acid alpha-ketobutyric acid: RN given refers to parent cpd; structure. 2-oxobutanoic acid : A 2-oxo monocarboxylic acid that is the 2-oxo derivative of butanoic acid. | 2.04 | 1 | 0 | 2-oxo monocarboxylic acid; short-chain fatty acid | |
| protocatechuic acid protocatechuic acid: RN given refers to parent cpd; structure. 3,4-dihydroxybenzoic acid : A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4. | 2.15 | 1 | 0 | catechols; dihydroxybenzoic acid | antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite |
| 3-chloroalanine 3-chloroalanine: RN given refers to parent cpd without isomeric designation. 3-chloroalanine : A chloroalanine obtained by replacement of one of the methyl hydrogens of alanine by a chloro group. | 2.01 | 1 | 0 | chloroalanine; non-proteinogenic alpha-amino acid; organochlorine compound | |
| 3-cyanopyridine pyridine-3-carbonitrile: structure in first source. 3-pyridinecarbonitrile : A nitrile that is pyridine substituted by a cyano group at position 3. | 7 | 1 | 0 | nitrile; pyridines | |
| acetoacetic acid acetoacetic acid : A 3-oxo monocarboxylic acid that is butyric acid bearing a 3-oxo substituent. | 3.35 | 1 | 0 | 3-oxo fatty acid; ketone body | metabolite |
| 3-phenylpropionic acid 3-phenylpropionic acid: RN given refers to parent cpd. 3-phenylpropionic acid : A monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group. | 2.76 | 3 | 0 | benzenes; monocarboxylic acid | antifungal agent; human metabolite; plant metabolite |
| gamma-aminobutyric acid gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system.. gamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4. | 3.86 | 11 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule |
| aminolevulinic acid Aminolevulinic Acid: A compound produced from succinyl-CoA and GLYCINE as an intermediate in heme synthesis. It is used as a PHOTOCHEMOTHERAPY for actinic KERATOSIS.. 5-aminolevulinic acid : The simplest delta-amino acid in which the hydrogens at the gamma position are replaced by an oxo group. It is metabolised to protoporphyrin IX, a photoactive compound which accumulates in the skin. Used (in the form of the hydrochloride salt)in combination with blue light illumination for the treatment of minimally to moderately thick actinic keratosis of the face or scalp. | 2.69 | 2 | 0 | 4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid | antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite |
| 5-aminovaleric acid 5-aminovaleric acid: from red fox anal secretion; RN given refers to parent cpd. 5-aminopentanoic acid : A delta-amino acid comprising pentanoic acid with an amino substituent at C-5; a methylene homologue of gamma-aminobutyric acid (GABA) that is a weak GABA agonist. | 2.05 | 1 | 0 | amino acid zwitterion; delta-amino acid; omega-amino fatty acid | human metabolite |
| ethylene glycol Ethylene Glycol: A colorless, odorless, viscous dihydroxy alcohol. It has a sweet taste, but is poisonous if ingested. Ethylene glycol is the most important glycol commercially available and is manufactured on a large scale in the United States. It is used as an antifreeze and coolant, in hydraulic fluids, and in the manufacture of low-freezing dynamites and resins.. ethanediol : Any diol that is ethane or substituted ethane carrying two hydroxy groups.. ethylene glycol : A 1,2-glycol compound produced via reaction of ethylene oxide with water. | 3.23 | 6 | 0 | ethanediol; glycol | metabolite; mouse metabolite; solvent; toxin |
| acetic acid Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed). acetic acid : A simple monocarboxylic acid containing two carbons. | 4.01 | 13 | 0 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
| acetaldehyde Acetaldehyde: A colorless, flammable liquid used in the manufacture of acetic acid, perfumes, and flavors. It is also an intermediate in the metabolism of alcohol. It has a general narcotic action and also causes irritation of mucous membranes. Large doses may cause death from respiratory paralysis.. acetaldehyde : The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke.. aldehyde : A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.. acetyl group : A group, formally derived from acetic acid by dehydroxylation, which is fundamental to the biochemistry of all forms of life. When bound to coenzyme A, it is central to the metabolism of carbohydrates and fats. | 10.96 | 20 | 0 | aldehyde | carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent |
| acetoin [no description available] | 2.36 | 2 | 0 | methyl ketone; secondary alpha-hydroxy ketone | metabolite |
| acetone methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H). | 12.66 | 50 | 0 | ketone body; methyl ketone; propanones; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent |
| adenine [no description available] | 3.74 | 11 | 0 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| adipic acid adipic acid : An alpha,omega-dicarboxylic acid that is the 1,4-dicarboxy derivative of butane. | 4.33 | 15 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | food acidity regulator; human xenobiotic metabolite |
| ammonium hydroxide azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2. | 5.64 | 24 | 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 |
| anthranilic acid anthranilic acid: RN given refers to parent cpd; structure in Negwer, 5th ed, #565. anthranilic acid : An aminobenzoic acid that is benzoic acid having a single amino substituent located at position 2. It is a metabolite produced in L-tryptophan-kynurenine pathway in the central nervous system. | 1.92 | 1 | 0 | aminobenzoic acid | human metabolite; mouse metabolite |
| beta-alanine [no description available] | 2.01 | 1 | 0 | amino acid zwitterion; beta-amino acid | agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter |
| benzaldehyde [no description available] | 3.58 | 8 | 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] | 8.46 | 60 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
| benzoic acid Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.. aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring. | 3.57 | 8 | 0 | benzoic acids | algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite |
| benzyl alcohol Benzyl Alcohol: A colorless liquid with a sharp burning taste and slight odor. It is used as a local anesthetic and to reduce pain associated with LIDOCAINE injection. Also, it is used in the manufacture of other benzyl compounds, as a pharmaceutic aid, and in perfumery and flavoring.. hydroxytoluene : Any member of the class of toluenes carrying one or more hydroxy substituents.. benzyl alcohol : An aromatic alcohol that consists of benzene bearing a single hydroxymethyl substituent.. aromatic alcohol : Any alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring.. aromatic primary alcohol : Any primary alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring. | 2.74 | 3 | 0 | benzyl alcohols | antioxidant; fragrance; metabolite; solvent |
| betaine glycine betaine : The amino acid betaine derived from glycine. | 3.88 | 3 | 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) | 5.42 | 59 | 0 | halide anion; monoatomic bromine | |
| hydrobromic acid Hydrobromic Acid: Hydrobromic acid (HBr). A solution of hydrogen bromide gas in water.. hydrobromide : Salts formally resulting from the reaction of hydrobromic acid with an organic base.. hydrogen bromide : A diatomic molecule containing covalently bonded hydrogen and bromine atoms. | 1.92 | 1 | 0 | gas molecular entity; hydrogen halide; mononuclear parent hydride | mouse metabolite |
| butyraldehyde [no description available] | 2.5 | 2 | 0 | butanals | biomarker; Escherichia coli metabolite; mouse metabolite |
| 2,3-butylene glycol 2,3-butylene glycol: RN given refers to cpd without isomeric designation. butane-2,3-diol : A butanediol in which hydroxylation is at C-2 and C-3. | 2.63 | 3 | 0 | butanediol; glycol; secondary alcohol | |
| 1-butanol 1-Butanol: A four carbon linear hydrocarbon that has a hydroxy group at position 1.. butan-1-ol : A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes. | 4.23 | 17 | 0 | alkyl alcohol; primary alcohol; short-chain primary fatty alcohol | human metabolite; mouse metabolite; protic solvent |
| carbamates [no description available] | 6.95 | 54 | 0 | amino-acid anion | |
| carbon monoxide Carbon Monoxide: Carbon monoxide (CO). A poisonous colorless, odorless, tasteless gas. It combines with hemoglobin to form carboxyhemoglobin, which has no oxygen carrying capacity. The resultant oxygen deprivation causes headache, dizziness, decreased pulse and respiratory rates, unconsciousness, and death. (From Merck Index, 11th ed). carbon monoxide : A one-carbon compound in which the carbon is joined only to a single oxygen. It is a colourless, odourless, tasteless, toxic gas. | 13.12 | 58 | 0 | carbon oxide; gas molecular entity; one-carbon compound | biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent |
| formic acid formic acid: RN given refers to parent cpd. formic acid : The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects. | 3.56 | 8 | 0 | monocarboxylic acid | antibacterial agent; astringent; metabolite; protic solvent; solvent |
| carnitine [no description available] | 2.63 | 3 | 0 | amino-acid betaine | human metabolite; mouse metabolite |
| catechol [no description available] | 2.52 | 2 | 0 | catechols | allelochemical; genotoxin; plant 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). | 10.06 | 222 | 0 | alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound | bacterial metabolite; fossil fuel; greenhouse gas |
| choline [no description available] | 3.55 | 9 | 0 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
| citric acid, anhydrous Citric Acid: A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium chelating ability.. citric acid : A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms. | 2.1 | 1 | 0 | tricarboxylic acid | antimicrobial agent; chelator; food acidity regulator; fundamental metabolite |
| chlorine chloride : A halide anion formed when chlorine picks up an electron to form an an anion. | 6.78 | 78 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
| hydrochloric acid Hydrochloric Acid: A strong corrosive acid that is commonly used as a laboratory reagent. It is formed by dissolving hydrogen chloride in water. GASTRIC ACID is the hydrochloric acid component of GASTRIC JUICE.. hydrogen chloride : A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms. | 3.6 | 9 | 0 | chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride | mouse metabolite |
| coumarin 2H-chromen-2-one: coumarin derivative | 4.76 | 9 | 0 | coumarins | fluorescent dye; human metabolite; plant metabolite |
| 2-cresol 2-cresol: RN given refers to parent cpd. o-cresol : A cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene. | 2.03 | 1 | 0 | cresol | human xenobiotic metabolite |
| salicylic acid Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL). | 7.73 | 3 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
| octane Octanes: Eight-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. octane : A straight chain alkane composed of 8 carbon atoms. | 4.16 | 16 | 0 | alkane | xenobiotic |
| phloroglucinol Phloroglucinol: A trinitrobenzene derivative with antispasmodic properties that is used primarily as a laboratory reagent.. phloroglucinol : A benzenetriol with hydroxy groups at position 1, 3 and 5. | 2.94 | 4 | 0 | benzenetriol; phenolic donor | algal metabolite |
| gallic acid gallate : A trihydroxybenzoate that is the conjugate base of gallic acid. | 2.99 | 4 | 0 | trihydroxybenzoic acid | antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite |
| 4-nitrophenylphosphate nitrophenylphosphate: RN given refers to mono(4-nitrophenyl) ester of phosphoric acid. 4-nitrophenyl phosphate : An aryl phosphate resulting from the mono-esterification of phosphoric acid with 4-nitrophenol. | 1.96 | 1 | 0 | aryl phosphate | mouse 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. | 3.67 | 10 | 0 | gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride | Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent |
| caprylic aldehyde caprylic aldehyde: structure in Merck Index, 9th ed, #1765. octanal : A saturated fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid). | 2.17 | 1 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | plant metabolite |
| guaiacol Guaiacol: An agent thought to have disinfectant properties and used as an expectorant. (From Martindale, The Extra Pharmacopoeia, 30th ed, p747). methylcatechol : Any member of the class of catechols carrying one or more methyl substituents.. guaiacol : A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position. | 2.15 | 1 | 0 | guaiacols | disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite |
| hippuric acid hippuric acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #4591. N-benzoylglycine : An N-acylglycine in which the acyl group is specified as benzoyl. | 1.97 | 1 | 0 | N-acylglycine | human blood serum metabolite; uremic toxin |
| phosphomevalonic acid phosphomevalonic acid: RN given refers to cpd without isomeric designation | 2.11 | 1 | 0 | monoalkyl phosphate | |
| malic acid malic acid : A 2-hydroxydicarboxylic acid that is succinic acid in which one of the hydrogens attached to a carbon is replaced by a hydroxy group.. 2-hydroxydicarboxylic acid : Any dicarboxylic acid carrying a hydroxy group on the carbon atom at position alpha to the carboxy group. | 2.42 | 2 | 0 | 2-hydroxydicarboxylic acid; C4-dicarboxylic acid | food acidity regulator; fundamental 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. | 3.17 | 5 | 0 | alpha-CH2-containing aldehyde; propanals | Escherichia coli metabolite |
| 1-aminocyclopropane-1-carboxylic acid 1-aminocyclopropanecarboxylic acid : A non-proteinogenic alpha-amino acid consisting of cyclopropane having amino and carboxy substituents both at the 1-position. | 2.7 | 3 | 0 | amino acid zwitterion; monocarboxylic acid; non-proteinogenic alpha-amino acid | ethylene releasers; plant metabolite |
| phosphonoacetic acid Phosphonoacetic Acid: A simple organophosphorus compound that inhibits DNA polymerase, especially in viruses and is used as an antiviral agent.. phosphonoacetic acid : A member of the class of phosphonic acids that is phosphonic acid in which the hydrogen attached to the phosphorous is replaced by a carboxymethyl group. | 2.11 | 1 | 0 | monocarboxylic acid; phosphonic acids | antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor |
| creatine [no description available] | 1.99 | 1 | 0 | glycine derivative; guanidines; zwitterion | geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical |
| cytosine [no description available] | 4.66 | 9 | 0 | aminopyrimidine; pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| alanylalanine alanylalanine: RN given refers to (DL)-isomer | 2.46 | 2 | 0 | dipeptide | |
| lactic acid Lactic Acid: A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed). 2-hydroxypropanoic acid : A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group. | 2.97 | 4 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
| 3,3-dimethylallyl pyrophosphate 3,3-dimethylallyl pyrophosphate: isomeric with isopentenyl pyrophosphate. prenyl diphosphate : A prenol phosphate that is a phosphoantigen comprising the O-pyrophosphate of prenol. | 2.76 | 3 | 0 | prenol phosphate | epitope; Escherichia coli metabolite; mouse metabolite; phosphoantigen |
| 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. | 9.2 | 17 | 0 | sulfoxide; volatile organic compound | alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger |
| ethanolamine [no description available] | 2.01 | 1 | 0 | ethanolamines; primary alcohol; primary amine | Escherichia coli metabolite; human metabolite; mouse metabolite |
| formaldehyde paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy | 5.73 | 16 | 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 |
| glutaric acid glutaric acid: RN given refers to parent cpd. glutaric acid : An alpha,omega-dicarboxylic acid that is a linear five-carbon dicarboxylic acid. | 2.41 | 1 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | Daphnia magna metabolite; human metabolite |
| glycine [no description available] | 4.57 | 25 | 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 |
| glyceraldehyde Glyceraldehyde: An aldotriose containing the propionaldehyde structure with hydroxy groups at the 2- and 3-positions. It is involved in the formation of ADVANCED GLYCOSYLATION END PRODUCTS.. glyceraldehyde : An aldotriose comprising propanal having hydroxy groups at the 2- and 3-positions. It plays role in the formation of advanced glycation end-products (AGEs), a deleterious accompaniment to ageing.. aldose : Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals. | 2.43 | 2 | 0 | aldotriose | fundamental metabolite |
| glycerol Moon: The natural satellite of the planet Earth. It includes the lunar cycles or phases, the lunar month, lunar landscapes, geography, and soil. | 6.63 | 29 | 0 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
| glycolic acid glycolic acid: RN given refers to parent cpd. glycolic acid : A 2-hydroxy monocarboxylic acid that is acetic acid where the methyl group has been hydroxylated. | 2.74 | 3 | 0 | 2-hydroxy monocarboxylic acid; primary alcohol | keratolytic drug; metabolite |
| glyoxylic acid glyoxylic acid: RN given refers to parent cpd. glyoxylic acid : A 2-oxo monocarboxylic acid that is acetic acid bearing an oxo group at the alpha carbon atom. | 2.11 | 1 | 0 | 2-oxo monocarboxylic acid; aldehydic acid | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| carbonic acid Carbonic Acid: Carbonic acid (H2C03). The hypothetical acid of carbon dioxide and water. It exists only in the form of its salts (carbonates), acid salts (hydrogen carbonates), amines (carbamic acid), and acid chlorides (carbonyl chloride). (From Grant & Hackh's Chemical Dictionary, 5th ed) | 2.46 | 2 | 0 | carbon oxoacid; chalcocarbonic acid | mouse metabolite |
| hydrogen cyanide Hydrogen Cyanide: Hydrogen cyanide (HCN); A toxic liquid or colorless gas. It is found in the smoke of various tobacco products and released by combustion of nitrogen-containing organic materials.. hydrogen cyanide : A one-carbon compound consisting of a methine group triple bonded to a nitrogen atom | 4.02 | 4 | 0 | hydracid; one-carbon compound | Escherichia coli metabolite; human metabolite; poison |
| hydrogen carbonate Bicarbonates: Inorganic salts that contain the -HCO3 radical. They are an important factor in determining the pH of the blood and the concentration of bicarbonate ions is regulated by the kidney. Levels in the blood are an index of the alkali reserve or buffering capacity.. hydrogencarbonate : The carbon oxoanion resulting from the removal of a proton from carbonic acid. | 3.57 | 2 | 0 | carbon oxoanion | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| histamine [no description available] | 2.34 | 2 | 0 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
| 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. | 10.22 | 279 | 0 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
| hydroquinone [no description available] | 2.43 | 2 | 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. | 4.51 | 6 | 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 |
| imidazole imidazole: RN given refers to parent cpd. 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1. | 4.03 | 13 | 0 | imidazole | |
| indole [no description available] | 8.86 | 11 | 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.. | 6.94 | 53 | 0 | diatomic iodine | nutrient |
| itaconic acid itaconic acid : A dicarboxylic acid that is methacrylic acid in which one of the methyl hydrogens is substituted by a carboxylic acid group. | 4.06 | 4 | 0 | dicarboxylic acid; dicarboxylic fatty acid; olefinic compound | fungal metabolite; human metabolite |
| 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. | 2.04 | 1 | 0 | hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative | human metabolite |
| pipecolic acid pipecolic acid: RN given refers to cpd without isomeric designation. pipecolic acid : A piperidinemonocarboxylic acid in which the carboxy group is located at position C-2.. pipecolate : A piperidinecarboxylate that is the conjugate base of pipecolic acid. | 2.05 | 1 | 0 | piperidinemonocarboxylic acid | |
| lipoamide Lipozyme: lipase from Rhizomucor miehei immobilized on anion exchange resin | 2.17 | 1 | 0 | dithiolanes; monocarboxylic acid amide | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| thioctic acid Thioctic Acid: An octanoic acid bridged with two sulfurs so that it is sometimes also called a pentanoic acid in some naming schemes. It is biosynthesized by cleavage of LINOLEIC ACID and is a coenzyme of oxoglutarate dehydrogenase (KETOGLUTARATE DEHYDROGENASE COMPLEX). It is used in DIETARY SUPPLEMENTS. | 2.02 | 1 | 0 | dithiolanes; heterocyclic fatty acid; thia fatty acid | fundamental metabolite; geroprotector |
| malonic acid malonic acid : An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group.. dicarboxylic acid : Any carboxylic acid containing two carboxy groups. | 3.43 | 7 | 0 | alpha,omega-dicarboxylic acid | human metabolite |
| methylmercaptan methylmercaptan: intermediate in the manufacturing of jet fuels, pesticides, fungicides, plastics, synthesis of methionine; odor may cause nausea; narcotic in high concentrations; depresses urea biosynthesis; RN given refers to parent cpd; structure | 2.81 | 3 | 0 | alkanethiol | human metabolite; Saccharomyces cerevisiae metabolite |
| pyruvaldehyde Pyruvaldehyde: An organic compound used often as a reagent in organic synthesis, as a flavoring agent, and in tanning. It has been demonstrated as an intermediate in the metabolism of acetone and its derivatives in isolated cell preparations, in various culture media, and in vivo in certain animals.. methylglyoxal : A 2-oxo aldehyde derived from propanal. | 2.01 | 1 | 0 | 2-oxo aldehyde; propanals | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| methanol Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group. | 12.33 | 79 | 0 | alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound | amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
| inositol Inositol: An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction.. inositol : Any cyclohexane-1,2,3,4,5,6-hexol.. 1D-chiro-inositol : Belonging to the inositol family of compounds, D-chiro-inositol (DCI) is an isomer of glucose. It is an important secondary messenger in insulin signal transduction.. muco-inositol : An inositol that is cyclohexane-1,2,3,4,5,6-hexol having a (1R,2R,3r,4R,5S,6r)-configuration. | 2.96 | 4 | 0 | cyclitol; hexol | |
| melatonin [no description available] | 2.71 | 3 | 0 | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger |
| croton oil [no description available] | 2.25 | 1 | 0 | N-acyl-hexosamine | |
| n-acetylserotonin N-acetylserotonin : An N-acylserotonin resulting from the formal condensation of the primary amino group of serotonin with the carboxy group of acetic acid. | 2.01 | 1 | 0 | acetamides; N-acylserotonin; phenols | antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist |
| acetanilide acetanilide: a phenylacetamide; use ACETANILIDES for the plural group meaning of the singular term. N-phenylacetamide : A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen is substituted by a phenyl group. | 2.49 | 2 | 0 | acetamides; anilide | analgesic |
| naphthalene [no description available] | 4.01 | 13 | 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. | 9.75 | 200 | 0 | metal allergen; nickel group element atom | epitope; micronutrient |
| nitrates Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical. | 5.6 | 16 | 1 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | |
| nitric acid Nitric Acid: Nitric acid (HNO3). A colorless liquid that is used in the manufacture of inorganic and organic nitrates and nitro compounds for fertilizers, dye intermediates, explosives, and many different organic chemicals. Continued exposure to vapor may cause chronic bronchitis; chemical pneumonitis may occur. (From Merck Index, 11th ed). nitric acid : A nitrogen oxoacid of formula HNO3 in which the nitrogen atom is bonded to a hydroxy group and by equivalent bonds to the remaining two oxygen atoms. | 2.31 | 1 | 0 | nitrogen oxoacid | protic solvent; reagent |
| nitroxyl nitroxyl: hydroxamic acid oxidized to nitroxyl free radical. nitroxyl : A nitrogen oxoacid consisting of an oxygen atom double-bonded to an NH group. | 2.98 | 4 | 0 | nitrogen oxoacid | |
| 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) | 4.44 | 22 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | human metabolite |
| nitrous oxide Nitrous Oxide: Nitrogen oxide (N2O). A colorless, odorless gas that is used as an anesthetic and analgesic. High concentrations cause a narcotic effect and may replace oxygen, causing death by asphyxia. It is also used as a food aerosol in the preparation of whipping cream.. dinitrogen oxide : A nitrogen oxide consisting of linear unsymmetrical molecules with formula N2O. While it is the most used gaseous anaesthetic in the world, its major commercial use, due to its solubility under pressure in vegetable fats combined with its non-toxicity in low concentrations, is as an aerosol spray propellant and aerating agent for canisters of 'whipped' cream. | 8.12 | 5 | 0 | gas molecular entity; nitrogen oxide | analgesic; bacterial metabolite; food packaging gas; food propellant; general anaesthetic; greenhouse gas; inhalation anaesthetic; NMDA receptor antagonist; raising agent; refrigerant; vasodilator agent |
| n,n-dimethylaniline N,N-dimethylaniline: RN given refers to parent cpd; structure. dimethylaniline : A methylaniline carrying at least two methyl groups.. N,N-dimethylaniline : A tertiary amine that is aniline in which the amino hydrogens are replaced by two methyl groups. | 2.07 | 1 | 0 | dimethylaniline; tertiary amine | |
| hydroxide ion [no description available] | 5.17 | 14 | 0 | oxygen hydride | mouse metabolite |
| oxalic acid Oxalic Acid: A strong dicarboxylic acid occurring in many plants and vegetables. It is produced in the body by metabolism of glyoxylic acid or ascorbic acid. It is not metabolized but excreted in the urine. It is used as an analytical reagent and general reducing agent.. oxalic acid : An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2. | 7.04 | 1 | 0 | alpha,omega-dicarboxylic acid | algal metabolite; human metabolite; plant metabolite |
| palmitic acid Palmitic Acid: A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids.. hexadecanoic acid : A straight-chain, sixteen-carbon, saturated long-chain fatty acid. | 2.02 | 1 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite |
| parathion [no description available] | 1.96 | 1 | 0 | C-nitro compound; organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; mouse metabolite |
| phenanthrene phenanthrene : A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.' | 2.52 | 2 | 0 | ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon; phenanthrenes | environmental contaminant; mouse metabolite |
| phenol [no description available] | 5.11 | 13 | 0 | phenols | antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite |
| phenylacetaldehyde [no description available] | 2.46 | 2 | 0 | alpha-CH2-containing aldehyde; phenylacetaldehydes | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| phenylacetic acid phenylacetic acid : A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group. | 2.77 | 3 | 0 | benzenes; monocarboxylic acid; phenylacetic acids | allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin |
| 2-hydroxyphenethylamine 2-amino-1-phenylethanol: structure in first source | 2.13 | 1 | 0 | phenylethanolamines | human metabolite |
| phosphoric acid phosphoric acid: concise etchant is 37% H3PO4. phosphoric acid : A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom. | 10.01 | 11 | 0 | phosphoric acids | algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent |
| phosphorylcholine Phosphorylcholine: Calcium and magnesium salts used therapeutically in hepatobiliary dysfunction.. phosphocholine : The phosphate of choline; and the parent compound of the phosphocholine family. | 2.02 | 1 | 0 | phosphocholines | allergen; epitope; hapten; human metabolite; mouse metabolite |
| phthalic acid phthalic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7178. phthalic acid : A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions. | 2.04 | 1 | 0 | benzenedicarboxylic acid | human xenobiotic metabolite |
| picolinic acid picolinic acid: iron-chelating agent that inhibits DNA synthesis; may interfere with iron-dependent production of stable free organic radical which is essential for ribonucleotide reductase formation of deoxyribonucleotides; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7206. picolinic acid : A pyridinemonocarboxylic acid in which the carboxy group is located at position 2. It is an intermediate in the metabolism of tryptophan. | 2.52 | 2 | 0 | pyridinemonocarboxylic acid | human metabolite; MALDI matrix material |
| diphosphoric acid diphosphoric acid : An acyclic phosphorus acid anhydride obtained by condensation of two molecules of phosphoric acid. | 2.06 | 1 | 0 | acyclic phosphorus acid anhydride; phosphorus oxoacid | Escherichia coli metabolite |
| prephenic acid prephenic acid: nonaromatic biosynthetic intermediate, probable immediate precursor of aromatic systems such as phenylalanine, tyrosine, tannins, flavanoids; isolated from cultures of mutant E coli; structure. (1s,4s)-prephenic acid : A prephenic acid having (1s,4s)-cis-configuration.. prephenic acid : An oxo dicarboxylic acid that consists of 4-hydroxycyclohexa-2,5-diene-1-carboxylic acid substituted by a 2-carboxy-2-oxoethyl group at position 1. | 2.07 | 1 | 0 | oxo dicarboxylic acid | Escherichia coli metabolite; plant metabolite |
| propylene glycol Propylene Glycol: A clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations.. propane-1,2-diol : The simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (-59degreeC) and high-boiling (188degreeC) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze. | 3.06 | 5 | 0 | glycol; propane-1,2-diols | allergen; human xenobiotic metabolite; mouse metabolite; protic solvent |
| 1-propanol 1-Propanol: A colorless liquid made by oxidation of aliphatic hydrocarbons that is used as a solvent and chemical intermediate.. propan-1-ol : The parent member of the class of propan-1-ols that is propane in which a hydrogen of one of the methyl groups is replaced by a hydroxy group. | 5.44 | 12 | 0 | propan-1-ols; short-chain primary fatty alcohol | metabolite; protic solvent |
| propionic acid propionic acid : A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group. | 2.44 | 2 | 0 | saturated fatty acid; short-chain fatty acid | antifungal drug |
| pteridines [no description available] | 2.48 | 2 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; pteridines | |
| putrescine [no description available] | 2.05 | 1 | 0 | alkane-alpha,omega-diamine | antioxidant; fundamental metabolite |
| pyrazole 1H-pyrazole : The 1H-tautomer of pyrazole. | 8.48 | 7 | 0 | pyrazole | |
| pyridine azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'. | 6.99 | 39 | 0 | azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines | environmental contaminant; NMR chemical shift reference compound |
| pyridoxal [no description available] | 1.95 | 1 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| pyridoxal phosphate Pyridoxal Phosphate: This is the active form of VITAMIN B 6 serving as a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, aminolevulinic acid. During transamination of amino acids, pyridoxal phosphate is transiently converted into pyridoxamine phosphate (PYRIDOXAMINE).. pyridoxal 5'-phosphate : The monophosphate ester obtained by condensation of phosphoric acid with the primary hydroxy group of pyridoxal. | 1.95 | 1 | 0 | methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate | coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| pyridoxamine [no description available] | 1.95 | 1 | 0 | aminoalkylpyridine; hydroxymethylpyridine; monohydroxypyridine; vitamin B6 | Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite |
| pyridoxine 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol: structure in first source. vitamin B6 : Any member of the group of pyridines that exhibit biological activity against vitamin B6 deficiency. Vitamin B6 deficiency is associated with microcytic anemia, electroencephalographic abnormalities, dermatitis with cheilosis (scaling on the lips and cracks at the corners of the mouth) and glossitis (swollen tongue), depression and confusion, and weakened immune function. Vitamin B6 consists of the vitamers pyridoxine, pyridoxal, and pyridoxamine and their respective 5'-phosphate esters (and includes their corresponding ionized and salt forms). | 2.69 | 3 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| pyrogallol benzenetriol : A triol in which three hydroxy groups are substituted onto a benzene ring. | 3.3 | 6 | 0 | benzenetriol; phenolic donor | plant metabolite |
| pyruvic acid Pyruvic Acid: An intermediate compound in the metabolism of carbohydrates, proteins, and fats. In thiamine deficiency, its oxidation is retarded and it accumulates in the tissues, especially in nervous structures. (From Stedman, 26th ed). pyruvic acid : A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis. | 2.01 | 1 | 0 | 2-oxo monocarboxylic acid | cofactor; fundamental metabolite |
| dimethyl sulfide dimethyl sulfide: structure. dimethyl sulfide : A methyl sulfide in which the sulfur atom is substituted by two methyl groups. It is produced naturally by some marine algae.. methyl sulfide : Any aliphatic sulfide in which at least one of the organyl groups attached to the sulfur is a methyl group. | 2.05 | 1 | 0 | aliphatic sulfide | algal metabolite; bacterial xenobiotic metabolite; EC 3.5.1.4 (amidase) inhibitor; Escherichia coli metabolite; marine metabolite |
| sulfites Sulfites: Inorganic salts of sulfurous acid.. sulfites : Any sulfurous acid derivative that is a salt or an ester of sulfurous acid.. organosulfonate oxoanion : An organic anion obtained by deprotonation of the sufonate group(s) of any organosulfonic acid.. sulfite : A sulfur oxoanion that is the conjugate base of hydrogen sulfite (H2SO3). | 2.91 | 4 | 0 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | |
| spermidine [no description available] | 2.92 | 4 | 0 | polyazaalkane; triamine | autophagy inducer; fundamental metabolite; geroprotector |
| spermine [no description available] | 2.69 | 3 | 0 | polyazaalkane; tetramine | antioxidant; fundamental metabolite; immunosuppressive agent |
| succinic acid Succinic Acid: A water-soluble, colorless crystal with an acid taste that is used as a chemical intermediate, in medicine, the manufacture of lacquers, and to make perfume esters. It is also used in foods as a sequestrant, buffer, and a neutralizing agent. (Hawley's Condensed Chemical Dictionary, 12th ed, p1099; McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed, p1851). succinic acid : An alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle. | 8.41 | 6 | 0 | alpha,omega-dicarboxylic acid; C4-dicarboxylic acid | anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent |
| sulfuric acid sulfuric acid : A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom. | 2.46 | 2 | 0 | sulfur oxoacid | catalyst |
| sulfur dioxide Sulfur Dioxide: A highly toxic, colorless, nonflammable gas. It is used as a pharmaceutical aid and antioxidant. It is also an environmental air pollutant. | 10.94 | 20 | 0 | sulfur oxide | Escherichia coli metabolite; food bleaching agent; refrigerant |
| taurine [no description available] | 7.43 | 2 | 0 | amino sulfonic acid; zwitterion | antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite |
| thiamine thiamine(1+) : A primary alcohol that is 1,3-thiazol-3-ium substituted by (4-amino-2-methylpyrimidin-5-yl)methyl, methyl and 2-hydroxyethyl groups at positions 3, 4 and 5, respectively. | 2.38 | 2 | 0 | primary alcohol; vitamin B1 | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| thymine [no description available] | 3.29 | 6 | 0 | pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite |
| toluene methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups. | 6.52 | 36 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
| trimethylamine [no description available] | 2.03 | 1 | 0 | methylamines; tertiary amine | Escherichia coli metabolite; human xenobiotic metabolite |
| tryptamine [no description available] | 2.94 | 4 | 0 | aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines | human metabolite; mouse metabolite; plant metabolite |
| uracil 2,4-dihydroxypyrimidine: a urinary biomarker for bipolar disorder | 8.79 | 11 | 0 | pyrimidine nucleobase; pyrimidone | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite |
| uric acid Uric Acid: An oxidation product, via XANTHINE OXIDASE, of oxypurines such as XANTHINE and HYPOXANTHINE. It is the final oxidation product of purine catabolism in humans and primates, whereas in most other mammals URATE OXIDASE further oxidizes it to ALLANTOIN.. uric acid : An oxopurine that is the final oxidation product of purine metabolism.. 6-hydroxy-1H-purine-2,8(7H,9H)-dione : A tautomer of uric acid having oxo groups at C-2 and C-8 and a hydroxy group at C-6.. 7,9-dihydro-1H-purine-2,6,8(3H)-trione : An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8. | 3.08 | 5 | 0 | uric acid | Escherichia coli metabolite; human metabolite; mouse metabolite |
| urea pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives. | 5.89 | 31 | 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 |
| vanillin Vanilla: A plant genus of the family ORCHIDACEAE that is the source of the familiar flavoring used in foods and medicines (FLAVORING AGENTS). | 2.49 | 2 | 0 | benzaldehydes; monomethoxybenzene; phenols | anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite |
| isopentenyl pyrophosphate isopentenyl pyrophosphate: substrate for isopentenyl pyrophosphate isomerase; RN given refers to unlabeled cpd; a nonpeptide mycobacterial antigen that stimulates gamma delta T cells. isopentenyl diphosphate : A prenol phosphate comprising 3-methylbut-3-en-1-ol having an O-diphosphate substituent. | 3.58 | 9 | 0 | prenol phosphate | antigen; antioxidant; epitope; Escherichia coli metabolite; mouse metabolite; phosphoantigen |
| 8-hydroxy-2-(di-n-propylamino)tetralin 8-Hydroxy-2-(di-n-propylamino)tetralin: A serotonin 1A-receptor agonist that is used experimentally to test the effects of serotonin.. 8-OH-DPAT : A tetralin substituted at positions 1 and 7 by hydroxy and dipropylamino groups respectively | 2.01 | 1 | 0 | phenols; tertiary amino compound; tetralins | serotonergic antagonist |
| sk&f-38393 2,3,4,5-Tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine: A selective D1 dopamine receptor agonist used primarily as a research tool.. 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol : A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1 and two hydroxy substituents at positions 7 and 8.. SKF 38393 : A racemate comprising equimolar amounts of (R)- and (S)-SKF 38393 | 2.08 | 1 | 0 | benzazepine; catechols; secondary amino compound | |
| menthol Menthol: A monoterpene cyclohexanol produced from mint oils. | 2.04 | 1 | 0 | p-menthane monoterpenoid; secondary alcohol | volatile oil component |
| mandelic acid SAMMA: mandelic acid condensation polymer | 3.02 | 4 | 0 | 2-hydroxy monocarboxylic acid; benzenes | antibacterial agent; human xenobiotic metabolite |
| 1,10-phenanthroline 1,10-phenanthroline: RN given refers to parent cpd; inhibits Zn-dependent metalloproteinases | 3.18 | 5 | 0 | phenanthroline | EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor |
| 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. | 5.91 | 31 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
| 1-methylimidazole 1-methyl-1H-imidazole : A 1H-imidazole having a methyl substituent at the N-1 position. | 2.42 | 2 | 0 | imidazoles | |
| 2,2'-dipyridyl 2,2'-Dipyridyl: A reagent used for the determination of iron.. 2,2'-bipyridine : A bipyridine in which the two pyridine moieties are linked by a bond between positions C-2 and C-2'. | 3.57 | 8 | 0 | bipyridine | chelator; ferroptosis inhibitor |
| 2,4,5-trichlorophenoxyacetic acid 2,4,5-Trichlorophenoxyacetic Acid: An herbicide with strong irritant properties. Use of this compound on rice fields, orchards, sugarcane, rangeland, and other noncrop sites was terminated by the EPA in 1985. (From Merck Index, 11th ed). (2,4,5-trichlorophenoxy)acetic acid : A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2, 4 and 5 are substituted by chlorines. | 3.05 | 1 | 0 | chlorophenoxyacetic acid; trichlorobenzene | defoliant; phenoxy herbicide; synthetic auxin |
| 2,4-dichlorophenoxyacetic acid 2,4-Dichlorophenoxyacetic Acid: An herbicide with irritant effects on the eye and the gastrointestinal system.. 2,4-D : A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2 and 4 are substituted by chlorines. | 3.05 | 1 | 0 | chlorophenoxyacetic acid; dichlorobenzene | agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin |
| 2-amino-4-picoline 2-amino-4-picoline: RN given refers to parent cpd | 2.04 | 1 | 0 | ||
| 2-aminofluorene [no description available] | 1.97 | 1 | 0 | ||
| mercaptoethanol Mercaptoethanol: A water-soluble thiol derived from hydrogen sulfide and ethanol. It is used as a reducing agent for disulfide bonds and to protect sulfhydryl groups from oxidation. | 2.38 | 2 | 0 | alkanethiol; primary alcohol | geroprotector |
| aminopropionitrile Aminopropionitrile: Reagent used as an intermediate in the manufacture of beta-alanine and pantothenic acid. | 1.94 | 1 | 0 | aminopropionitrile | antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite |
| 3-methylcholanthrene Methylcholanthrene: A carcinogen that is often used in experimental cancer studies.. 3-methylcholanthrene : A pentacyclic ortho- and peri-fused polycyclic arene consisting of a dihydrocyclopenta[ij]tetraphene ring system with a methyl substituent at the 3-position. | 2.87 | 4 | 0 | ortho- and peri-fused polycyclic arene | aryl hydrocarbon receptor agonist; carcinogenic agent |
| 4-aminopyridine [no description available] | 2.47 | 2 | 0 | aminopyridine; aromatic amine | avicide; orphan drug; potassium channel blocker |
| 4-nonylphenol 4-nonylphenol: structure in first source; see also record for nonylphenol. 4-nonylphenol : A member of the class of phenols that is phenol which is para-substituted with a nonyl group. | 2.01 | 1 | 0 | phenols | environmental contaminant |
| 5-hydroxydecanoate 5-hydroxydecanoic acid: Potassium Channel Blocker; RN refers to parent cpd | 2.02 | 1 | 0 | medium-chain fatty acid | |
| 6-methoxytryptoline 6-methoxytryptoline: RN given refers to parent cpd; structure | 2.01 | 1 | 0 | ||
| oxyquinoline Oxyquinoline: An antiseptic with mild fungistatic, bacteriostatic, anthelmintic, and amebicidal action. It is also used as a reagent and metal chelator, as a carrier for radio-indium for diagnostic purposes, and its halogenated derivatives are used in addition as topical anti-infective agents and oral antiamebics.. quinolin-8-ol : A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 8. Its fungicidal properties are used for the control of grey mould on vines and tomatoes. | 2.03 | 1 | 0 | monohydroxyquinoline | antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator |
| tacrine Tacrine: A cholinesterase inhibitor that crosses the blood-brain barrier. Tacrine has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimer's disease and other central nervous system disorders.. tacrine : A member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease. | 2.03 | 1 | 0 | acridines; aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| 2,2'-azobis(2-amidinopropane) 2,2'-azobis(2-amidinopropane): water-soluble free-radical initiator | 2 | 1 | 0 | monoazo compound | |
| acetaminophen Acetaminophen: Analgesic antipyretic derivative of acetanilide. It has weak anti-inflammatory properties and is used as a common analgesic, but may cause liver, blood cell, and kidney damage.. paracetamol : A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group. | 5.78 | 6 | 4 | acetamides; phenols | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
| albuterol Albuterol: A short-acting beta-2 adrenergic agonist that is primarily used as a bronchodilator agent to treat ASTHMA. Albuterol is prepared as a racemic mixture of R(-) and S(+) stereoisomers. The stereospecific preparation of R(-) isomer of albuterol is referred to as levalbuterol.. albuterol : A member of the class of phenylethanolamines that is 4-(2-amino-1-hydroxyethyl)-2-(hydroxymethyl)phenol having a tert-butyl group attached to the nirogen atom. It acts as a beta-adrenergic agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD). | 2.05 | 1 | 0 | phenols; phenylethanolamines; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic |
| p-aminohippuric acid p-Aminohippuric Acid: The glycine amide of 4-aminobenzoic acid. Its sodium salt is used as a diagnostic aid to measure effective renal plasma flow (ERPF) and excretory capacity.. p-aminohippurate : A hippurate that is the conjugate base of p-aminohippuric acid, arising from deprotonation of the carboxy group.. p-aminohippuric acid : An N-acylglycine that is the 4-amino derivative of hippuric acid; used as a diagnostic agent in the measurement of renal plasma flow. | 1.96 | 1 | 0 | N-acylglycine | Daphnia magna metabolite |
| theophylline [no description available] | 2.66 | 3 | 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 |
| amlodipine Amlodipine: A long-acting dihydropyridine calcium channel blocker. It is effective in the treatment of ANGINA PECTORIS and HYPERTENSION.. amlodipine : A fully substituted dialkyl 1,4-dihydropyridine-3,5-dicarboxylate derivative, which is used for the treatment of hypertension, chronic stable angina and confirmed or suspected vasospastic angina. | 3.41 | 1 | 1 | dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound | antihypertensive agent; calcium channel blocker; vasodilator agent |
| amsacrine Amsacrine: An aminoacridine derivative that intercalates into DNA and is used as an antineoplastic agent.. amsacrine : A sulfonamide that is N-phenylmethanesulfonamide substituted by a methoxy group at position 3 and an acridin-9-ylamino group at position 4. It exhibits antineoplastic activity. | 2.38 | 2 | 0 | acridines; aromatic ether; sulfonamide | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| anethole trithione Anethole Trithione: Choleretic used to allay dry mouth and constipation due to tranquilizers. | 2.33 | 2 | 0 | methoxybenzenes | |
| antipyrine Antipyrine: An analgesic and antipyretic that has been given by mouth and as ear drops. Antipyrine is often used in testing the effects of other drugs or diseases on drug-metabolizing enzymes in the liver. (From Martindale, The Extra Pharmacopoeia, 30th ed, p29). antipyrine : A pyrazolone derivative that is 1,2-dihydropyrazol-3-one substituted with methyl groups at N-1 and C-5 and with a phenyl group at N-2. | 3.74 | 2 | 1 | pyrazolone | antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
| 2-amino-4-phosphonobutyric acid 2-amino-4-phosphonobutyric acid: glutamate antagonist in locust muscle; structure; do not confuse with L-AP4, which is the propionic acid version | 2.03 | 1 | 0 | ||
| aristolochic acid i aristolochic acid I: phospholipase A inhibitor. aristolochic acid A : An aristolochic acid that is phenanthrene-1-carboxylic acid that is substituted by a methylenedioxy group at the 3,4 positions, by a methoxy group at position 8, and by a nitro group at position 10. It is the most abundant of the aristolochic acids and is found in almost all Aristolochia (birthworts or pipevines) species. It has been tried in a number of treatments for inflammatory disorders, mainly in Chinese and folk medicine. However, there is concern over their use as aristolochic acid is both carcinogenic and nephrotoxic. | 3.12 | 1 | 0 | aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound | carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin |
| aspirin Aspirin: The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5). acetylsalicylate : A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group.. acetylsalicylic acid : A member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity. | 3.33 | 1 | 1 | benzoic acids; phenyl acetates; salicylates | anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent |
| azelaic acid nonanedioic acid : An alpha,omega-dicarboxylic acid that is heptane substituted at positions 1 and 7 by carboxy groups. | 2.05 | 1 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite |
| baclofen [no description available] | 2.11 | 1 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound | central nervous system depressant; GABA agonist; muscle relaxant |
| benserazide Benserazide: An inhibitor of DOPA DECARBOXYLASE that does not enter the central nervous system. It is often given with LEVODOPA in the treatment of parkinsonism to prevent the conversion of levodopa to dopamine in the periphery, thereby increasing the amount that reaches the central nervous system and reducing the required dose. It has no antiparkinson actions when given alone.. benserazide : A carbohydrazide that results from the formal condensation of the carboxy group of DL-serine with the primary amino group of 4-(hydrazinylmethyl)benzene-1,2,3-triol. An aromatic-L-amino-acid decarboxylase inhibitor (DOPA decarboxylase inhibitor) that does not enter the central nervous system, it is used as its hydrochloride salt as an adjunct to levodopa in the treatment of parkinsonism. By preventing the conversion of levodopa to dopamine in the periphery, it causes an increase in the amount of levodopa reaching the central nervous system and so reduces the required dose. Benserazide has no antiparkinson actions when given alone. | 1.95 | 1 | 0 | carbohydrazide; catechols; primary alcohol; primary amino compound | antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
| benzamide benzamide : An aromatic amide that consists of benzene bearing a single carboxamido substituent. The parent of the class of benzamides. | 7.13 | 1 | 0 | benzamides | |
| benzethonium Benzethonium: Bactericidal cationic quaternary ammonium surfactant used as a topical anti-infective agent. It is an ingredient in medicaments, deodorants, mouthwashes, etc., and is used to disinfect apparatus, etc., in the food processing and pharmaceutical industries, in surgery, and also as a preservative. The compound is toxic orally as a result of neuromuscular blockade. | 2.02 | 1 | 0 | alkylbenzene | |
| 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. | 2.42 | 2 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent; mouse metabolite |
| benzyl benzoate benzyl benzoate: structure; acarosan, a moist powder composed of wetted cellulose and benzyl benzoate, is used on carpets as an acaricide. benzyl benzoate : A benzoate ester obtained by the formal condensation of benzoic acid with benzyl alcohol. It has been isolated from the plant species of the genus Polyalthia. | 2.1 | 1 | 0 | benzoate ester; benzyl ester | acaricide; plant metabolite; scabicide |
| beta-naphthoflavone beta-Naphthoflavone: A polyaromatic hydrocarbon inducer of P4501A1 and P4501A2 cytochromes. (Proc Soc Exp Biol Med 1994 Dec:207(3):302-308). beta-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone. | 1.96 | 1 | 0 | extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound | aryl hydrocarbon receptor agonist |
| caffeine [no description available] | 1.94 | 1 | 0 | purine alkaloid; trimethylxanthine | adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic |
| verapamil Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent.. verapamil : A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine.. 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group. | 2.11 | 1 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
| camphor, (+-)-isomer [no description available] | 4.59 | 8 | 0 | bornane monoterpenoid; cyclic monoterpene ketone | plant metabolite |
| candesartan candesartan: a nonpeptide angiotensin II receptor antagonist. candesartan : A benzimidazolecarboxylic acid that is 1H-benzimidazole-7-carboxylic acid substituted by an ethoxy group at position 2 and a ({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl) group at position 1. It is a angiotensin receptor antagonist used for the treatment of hypertension. | 3.41 | 1 | 1 | benzimidazolecarboxylic acid; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
| carbamazepine Carbamazepine: A dibenzazepine that acts as a sodium channel blocker. It is used as an anticonvulsant for the treatment of grand mal and psychomotor or focal SEIZURES. It may also be used in the management of BIPOLAR DISORDER, and has analgesic properties.. carbamazepine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant. | 2 | 1 | 0 | dibenzoazepine; ureas | analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic |
| celecoxib [no description available] | 2.06 | 1 | 0 | organofluorine compound; pyrazoles; sulfonamide; toluenes | cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| cefixime Cefixime: A third-generation cephalosporin antibiotic that is stable to hydrolysis by beta-lactamases.. cefixime : A third-generation cephalosporin antibiotic bearing vinyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It is used in the treatment of gonorrhoea, tonsilitis, pharyngitis, bronchitis, and urinary tract infections. | 1.97 | 1 | 0 | ||
| cetyltrimethylammonium ion Cetrimonium: Cetyltrimethylammonium compound whose salts and derivatives are used primarily as topical antiseptics.. cetyltrimethylammonium ion : A quaternary ammonium ion in which the substituents on nitrogen are one hexadecyl and three methyl groups. | 2.15 | 1 | 0 | quaternary ammonium ion | |
| cetylpyridinium Cetylpyridinium: Cationic bactericidal surfactant used as a topical antiseptic for skin, wounds, mucous membranes, instruments, etc.; and also as a component in mouthwash and lozenges. | 2.03 | 1 | 0 | pyridinium ion | |
| chloral hydrate [no description available] | 3.74 | 2 | 1 | aldehyde hydrate; ethanediol; organochlorine compound | general anaesthetic; mouse metabolite; sedative; xenobiotic |
| chlorpheniramine Chlorpheniramine: A histamine H1 antagonist used in allergic reactions, hay fever, rhinitis, urticaria, and asthma. It has also been used in veterinary applications. One of the most widely used of the classical antihistaminics, it generally causes less drowsiness and sedation than PROMETHAZINE.. chlorphenamine : A tertiary amino compound that is propylamine which is substituted at position 3 by a pyridin-2-yl group and a p-chlorophenyl group and in which the hydrogens attached to the nitrogen are replaced by methyl groups. A histamine H1 antagonist, it is used to relieve the symptoms of hay fever, rhinitis, urticaria, and asthma. | 2.59 | 2 | 0 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor |
| chlorpromazine Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup.. chlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety. | 2 | 1 | 0 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
| chlorpyrifos Chlorpyrifos: An organothiophosphate cholinesterase inhibitor that is used as an insecticide and as an acaricide.. chlorpyrifos : An organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group. | 2.21 | 1 | 0 | chloropyridine; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic |
| chrysanthemic acid chrysanthemic acid: occurs as esters in pyrethrum flowers; RN given refers to cpd without isomeric designation; structure. chrysanthemic acid : A monocarboxylic acid that is cyclopropanecarboxylic acid substituted by two methyl groups at position 2 and a 2-methylprop-1-en-1-yl group at position 3. | 2.02 | 1 | 0 | cyclopropanes; monocarboxylic acid | plant metabolite |
| eucalyptol [no description available] | 3.31 | 6 | 0 | ||
| 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. | 2.93 | 4 | 0 | platinum coordination entity | catalyst; reagent |
| citalopram Citalopram: A furancarbonitrile that is one of the serotonin uptake inhibitors used as an antidepressant. The drug is also effective in reducing ethanol uptake in alcoholics and is used in depressed patients who also suffer from TARDIVE DYSKINESIA in preference to tricyclic antidepressants, which aggravate dyskinesia.. citalopram : A racemate comprising equimolar amounts of (R)-citalopram and its enantiomer, escitalopram. It is used as an antidepressant, although only escitalopram is active.. 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile : A nitrile that is 1,3-dihydro-2-benzofuran-5-carbonitrile in which one of the hydrogens at position 1 is replaced by a p-fluorophenyl group, while the other is replaced by a 3-(dimethylamino)propyl group. | 2.02 | 1 | 0 | 2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound | |
| clofibrate angiokapsul: contains clofibrate & insoitolnicotinate | 5.53 | 7 | 0 | aromatic ether; ethyl ester; monochlorobenzenes | anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist |
| 4-cresol 4-cresol: RN given refers to parent cpd. p-cresol : A cresol that consists of toluene substituted by a hydroxy group at position 4. It is a metabolite of aromatic amino acid metabolism produced by intestinal microflora in humans and animals. | 2.03 | 1 | 0 | cresol | Escherichia coli metabolite; human metabolite; uremic toxin |
| cx546 1-(1,4-benzodioxan-6-ylcarbonyl)piperidine: structure in first source | 2.1 | 1 | 0 | ||
| cyclofenil Cyclofenil: A gonadal stimulant and inducer of ovulation. It is used in the treatment of infertility and amenorrhea, but is thought to be less effective than CLOMIPHENE. | 2.67 | 3 | 0 | organic molecular entity | |
| cyclopentylamine [no description available] | 2.41 | 1 | 0 | ||
| cystamine [no description available] | 1.97 | 1 | 0 | organic disulfide; primary amino compound | EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor |
| dapi DAPI: RN given refers to parent cpd. | 2 | 1 | 0 | indoles | fluorochrome |
| deferoxamine Deferoxamine: Natural product isolated from Streptomyces pilosus. It forms iron complexes and is used as a chelating agent, particularly in the mesylate form.. desferrioxamine B : An acyclic desferrioxamine that is butanedioic acid in which one of the carboxy groups undergoes formal condensation with the primary amino group of N-(5-aminopentyl)-N-hydroxyacetamide and the second carboxy group undergoes formal condensation with the hydroxyamino group of N(1)-(5-aminopentyl)-N(1)-hydroxy-N(4)-[5-(hydroxyamino)pentyl]butanediamide. It is a siderophore native to Streptomyces pilosus biosynthesised by the DesABCD enzyme cluster as a high affinity Fe(III) chelator. | 1.98 | 1 | 0 | acyclic desferrioxamine | bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore |
| desipramine Desipramine: A tricyclic dibenzazepine compound that potentiates neurotransmission. Desipramine selectively blocks reuptake of norepinephrine from the neural synapse, and also appears to impair serotonin transport. This compound also possesses minor anticholinergic activity, through its affinity to muscarinic receptors.. desipramine : A dibenzoazepine consisting of 10,11-dihydro-5H-dibenzo[b,f]azepine substituted on nitrogen with a 3-(methylamino)propyl group. | 1.95 | 1 | 0 | dibenzoazepine; secondary amino compound | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor |
| amphetamine Amphetamine: A powerful central nervous system stimulant and sympathomimetic. Amphetamine has multiple mechanisms of action including blocking uptake of adrenergics and dopamine, stimulation of release of monamines, and inhibiting monoamine oxidase. Amphetamine is also a drug of abuse and a psychotomimetic. The l- and the d,l-forms are included here. The l-form has less central nervous system activity but stronger cardiovascular effects. The d-form is DEXTROAMPHETAMINE.. 1-phenylpropan-2-amine : A primary amine that is isopropylamine in which a hydrogen attached to one of the methyl groups has been replaced by a phenyl group.. amphetamine : A racemate comprising equimolar amounts of (R)-amphetamine (also known as levamphetamine or levoamphetamine) and (S)-amphetamine (also known as dexamfetamine or dextroamphetamine. | 1.94 | 1 | 0 | primary amine | |
| diazepam Diazepam: A benzodiazepine with anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties and a long duration of action. Its actions are mediated by enhancement of GAMMA-AMINOBUTYRIC ACID activity.. diazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a methyl group at position 1 and a phenyl group at position 5. | 1.95 | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
| methylene bromide methylene bromide: RN given refers to parent cpd. dibromomethane : A member of the class of bromomethanes that is methane substituted by two bromo groups. It is produced by marine algae. | 1.99 | 1 | 0 | bromohydrocarbon; bromomethanes | algal metabolite; marine metabolite |
| diclofenac Diclofenac: A non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt.. diclofenac : A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position. | 2.17 | 1 | 0 | amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
| dichlorodiphenyl dichloroethylene Dichlorodiphenyl Dichloroethylene: An organochlorine pesticide, it is the ethylene metabolite of DDT. | 1.94 | 1 | 0 | chlorophenylethylene; monochlorobenzenes | human xenobiotic metabolite; persistent organic pollutant |
| diethyl pyrocarbonate Diethyl Pyrocarbonate: Preservative for wines, soft drinks, and fruit juices and a gentle esterifying agent.. diethyl pyrocarbonate : The diethyl ester of dicarbonic acid. | 2.02 | 1 | 0 | acyclic carboxylic anhydride | |
| dimercaprol Dimercaprol: An anti-gas warfare agent that is effective against Lewisite (dichloro(2-chlorovinyl)arsine) and formerly known as British Anti-Lewisite or BAL. It acts as a chelating agent and is used in the treatment of arsenic, gold, and other heavy metal poisoning.. dimercaprol : A dithiol that is propane-1,2-dithiol in which one of the methyl hydrogens is replaced by a hydroxy group. a chelating agent originally developed during World War II as an experimental antidote against the arsenic-based poison gas Lewisite, it has been used clinically since 1949 for the treatment of poisoning by arsenic, mercury and gold. It can also be used for treatment of poisoning by antimony, bismuth and possibly thallium, and (with sodium calcium edetate) in cases of acute leaad poisoning. Administration is by (painful) intramuscular injection of a suspension of dimercaprol in peanut oil, typically every 4 hours for 2-10 days depending on the toxicity. In the past, dimercaprol was also used for the treatment of Wilson's disease, a severely debilitating genetic disorder in which the body tends to retain copper, with resultant liver and brain injury. | 1.96 | 1 | 0 | dithiol; primary alcohol | chelator |
| diphenhydramine Diphenhydramine: A histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations. It has some undesired antimuscarinic and sedative effects.. diphenhydramine : An ether that is the benzhydryl ether of 2-(dimethylamino)ethanol. It is a H1-receptor antagonist used as a antipruritic and antitussive drug.. antitussive : An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration. | 1.94 | 1 | 0 | ether; tertiary amino compound | anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative |
| benzophenone benzophenone : The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups. | 3.01 | 4 | 0 | benzophenones | photosensitizing agent; plant metabolite |
| diuron Diuron: A pre-emergent herbicide.. diuron : A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which both of the hydrogens attached to one nitrogen are substituted by methyl groups, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group. | 1.97 | 1 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene | environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic |
| edrophonium Edrophonium: A rapid-onset, short-acting cholinesterase inhibitor used in cardiac arrhythmias and in the diagnosis of myasthenia gravis. It has also been used as an antidote to curare principles.. edrophonium : A quaternary ammonium ion that is N-ethyl-N,N-dimethylanilinium in which one of the meta positions is substituted by a hydroxy group. It is a reversible inhibitor of cholinesterase, with a rapid onset (30-60 seconds after injection) but a short duration of action (5-15 minutes). The chloride salt is used in myasthenia gravis both diagnostically and to distinguish between under- or over-treatment with other anticholinesterases. It has also been used for the reversal of neuromuscular blockade in anaesthesia, and for the management of poisoning due to tetrodotoxin, a neuromuscular blocking toxin found in puffer fish and other marine animals. | 2.97 | 1 | 0 | phenols; quaternary ammonium ion | antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor |
| erythrosine Fluoresceins: A family of spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one derivatives. These are used as dyes, as indicators for various metals, and as fluorescent labels in immunoassays. | 3.13 | 5 | 0 | ||
| ether Ether: A mobile, very volatile, highly flammable liquid used as an inhalation anesthetic and as a solvent for waxes, fats, oils, perfumes, alkaloids, and gums. It is mildly irritating to skin and mucous membranes.. ether : An organooxygen compound with formula ROR, where R is not hydrogen.. diethyl ether : An ether in which the oxygen atom is linked to two ethyl groups. | 9.04 | 14 | 0 | ether; volatile organic compound | inhalation anaesthetic; non-polar solvent; refrigerant |
| 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. | 2.03 | 1 | 0 | alkane-alpha,omega-diamine | GABA agonist |
| flucytosine Flucytosine: A fluorinated cytosine analog that is used as an antifungal agent.. flucytosine : An organofluorine compound that is cytosine that is substituted at position 5 by a fluorine. A prodrug for the antifungal 5-fluorouracil, it is used for the treatment of systemic fungal infections. | 4.25 | 3 | 0 | aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone | prodrug |
| fluorouracil Fluorouracil: A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the THYMIDYLATE SYNTHETASE conversion of deoxyuridylic acid to thymidylic acid.. 5-fluorouracil : A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth. | 1.94 | 1 | 0 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
| fluoxetine Fluoxetine: The first highly specific serotonin uptake inhibitor. It is used as an antidepressant and often has a more acceptable side-effects profile than traditional antidepressants.. fluoxetine : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder.. N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine : An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group. | 2.13 | 1 | 0 | (trifluoromethyl)benzenes; aromatic ether; secondary amino compound | |
| 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. | 2.42 | 2 | 0 | fluorobiphenyl; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| furosemide Furosemide: A benzoic-sulfonamide-furan. It is a diuretic with fast onset and short duration that is used for EDEMA and chronic RENAL INSUFFICIENCY.. furosemide : A chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure. | 2.05 | 1 | 0 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
| glutaral Glutaral: One of the protein CROSS-LINKING REAGENTS that is used as a disinfectant for sterilization of heat-sensitive equipment and as a laboratory reagent, especially as a fixative.. glutaraldehyde : A dialdehyde comprised of pentane with aldehyde functions at C-1 and C-5. | 2 | 1 | 0 | dialdehyde | cross-linking reagent; disinfectant; fixative |
| glyburide Glyburide: An antidiabetic sulfonylurea derivative with actions like those of chlorpropamide. glyburide : An N-sulfonylurea that is acetohexamide in which the acetyl group is replaced by a 2-(5-chloro-2-methoxybenzamido)ethyl group. | 2.41 | 1 | 0 | monochlorobenzenes; N-sulfonylurea | anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent |
| guaifenesin Guaifenesin: An expectorant that also has some muscle relaxing action. It is used in many cough preparations. | 1.94 | 1 | 0 | methoxybenzenes | |
| guanidine Guanidine: A strong organic base existing primarily as guanidium ions at physiological pH. It is found in the urine as a normal product of protein metabolism. It is also used in laboratory research as a protein denaturant. (From Martindale, the Extra Pharmacopoeia, 30th ed and Merck Index, 12th ed) It is also used in the treatment of myasthenia and as a fluorescent probe in HPLC.. guanidine : An aminocarboxamidine, the parent compound of the guanidines. | 3.93 | 12 | 0 | carboxamidine; guanidines; one-carbon compound | |
| guvacine guvacine: RN given refers to parent cpd. guvacine : A alpha,beta-unsaturated monocarboxylic acid that is nicotinic acid which has been hydrogenated at the 1-2 and 5-6 positions of the pyridine ring. | 2.21 | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; beta-amino acid; pyridine alkaloid; secondary amino compound; tetrahydropyridine | GABA reuptake inhibitor; plant metabolite |
| haloperidol Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety. | 2.25 | 1 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
| halothane [no description available] | 2.36 | 2 | 0 | haloalkane; organobromine compound; organochlorine compound; organofluorine compound | inhalation anaesthetic |
| hexobarbital Hexobarbital: A barbiturate that is effective as a hypnotic and sedative.. hexobarbital : A member of the class of barbiturates taht is barbituric acid substituted at N-1 by methyl and at C-5 by methyl and cyclohex-1-enyl groups. | 2 | 1 | 0 | barbiturates | |
| 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. | 2.68 | 3 | 0 | azaarene; hydrazines; ortho-fused heteroarene; phthalazines | antihypertensive agent; vasodilator agent |
| ibuprofen Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine | 3 | 4 | 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 |
| lidocaine Lidocaine: A local anesthetic and cardiac depressant used as an antiarrhythmia agent. Its actions are more intense and its effects more prolonged than those of PROCAINE but its duration of action is shorter than that of BUPIVACAINE or PRILOCAINE.. lidocaine : The monocarboxylic acid amide resulting from the formal condensation of N,N-diethylglycine with 2,6-dimethylaniline. | 1.94 | 1 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
| indole-3-carbinol indole-3-carbinol: occurs in edible cruciferous vegetables. indole-3-methanol : An indolyl alcohol carrying a hydroxymethyl group at position 3. It is a constituent of the cruciferous vegetables and had anticancer activity. | 3.1 | 5 | 0 | indolyl alcohol | antineoplastic agent; plant metabolite |
| indomethacin Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.. indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis. | 4.48 | 5 | 1 | aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole | analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic |
| iodoacetamide [no description available] | 1.95 | 1 | 0 | ||
| iproniazid [no description available] | 1.96 | 1 | 0 | carbohydrazide; pyridines | |
| isoniazid Hydra: A genus of freshwater polyps in the family Hydridae, order Hydroida, class HYDROZOA. They are of special interest because of their complex organization and because their adult organization corresponds roughly to the gastrula of higher animals.. hydrazide : Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing -OH by -NRNR2 (R groups are commonly H). (IUPAC). | 3.49 | 2 | 0 | carbohydrazide | antitubercular agent; drug allergen |
| 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. | 4.76 | 9 | 0 | secondary alcohol; secondary fatty alcohol | protic solvent |
| isoproterenol Isoproterenol: Isopropyl analog of EPINEPHRINE; beta-sympathomimetic that acts on the heart, bronchi, skeletal muscle, alimentary tract, etc. It is used mainly as bronchodilator and heart stimulant.. isoprenaline : A secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusively on beta-adrenergic receptors, it is used (mainly as the hydrochloride salt) as a bronghodilator and heart stimulant for the management of a variety of cardiac disorders. | 2.67 | 3 | 0 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
| staurosporine aglycone staurosporine aglycone: metabolite from culture broth of Nocardiopsis sp.; a neurotrophin antag; inhibits BDNF TrkB receptor | 2.11 | 1 | 0 | ||
| ketamine Ketamine: A cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE) and may interact with sigma receptors.. ketamine : A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group. | 2.36 | 2 | 0 | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
| 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 | |
| kojic acid [no description available] | 3.54 | 2 | 0 | 4-pyranones; enol; primary alcohol | Aspergillus metabolite; EC 1.10.3.1 (catechol oxidase) inhibitor; EC 1.10.3.2 (laccase) inhibitor; EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; EC 1.4.3.3 (D-amino-acid oxidase) inhibitor; NF-kappaB inhibitor; skin lightening agent |
| 2-phenylglycine 2-phenylglycine: RN given refers to cpd without isomeric designation; structure. alpha-phenylglycine : An amino acid with a structure in which a phenyl ring is bonded to the alpha-carbon of glycine. | 2.11 | 1 | 0 | non-proteinogenic alpha-amino acid | human metabolite |
| labetalol Labetalol: A salicylamide derivative that is a non-cardioselective blocker of BETA-ADRENERGIC RECEPTORS and ALPHA-1 ADRENERGIC RECEPTORS.. labetalol : A diastereoisomeric mixture of approximately equal amounts of all four possible stereoisomers ((R,S)-labetolol, (S,R)-labetolol, (S,S)-labetalol and (R,R)-labetalol). It is an adrenergic antagonist used to treat high blood pressure.. 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide : A member of the class of benzamides that is benzamide substituted by a hydroxy group at position 2 and by a 1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl group at position 5. | 2.02 | 1 | 0 | benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound | |
| lapachol lapachol : A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone substituted by hydroxy and 3-methylbut-2-en-1-yl groups at positions 2 and 3, respectively. It is a natural compound that exhibits antibacterial and anticancer properties, first isolated in 1882 from the bark of Tabebuia avellanedae. | 2.11 | 1 | 0 | ||
| beta-lapachone beta-lapachone: antineoplastic inhibitor of reverse transcriptase, DNA topoisomerase, and DNA polymerase. beta-lapachone : A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities. | 2.11 | 1 | 0 | benzochromenone; orthoquinones | anti-inflammatory agent; antineoplastic agent; plant metabolite |
| tetramisole 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole : An imidazothiazole that is imidazo[2,1-b][1,3]thiazole in which the double bonds at the 2-3 and 5-6 positions have been reduced to single bonds and in which one of the hydrogens at position 6 is replaced by a phenyl group.. tetramisole : A racemate comprising equimolar amounts of levamisole and dexamisole. | 2.08 | 1 | 0 | imidazothiazole | environmental contaminant; xenobiotic |
| vitamin k 3 Vitamin K 3: A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation in vivo. | 2.48 | 2 | 0 | 1,4-naphthoquinones; vitamin K | angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical |
| meprobamate Meprobamate: A carbamate with hypnotic, sedative, and some muscle relaxant properties, although in therapeutic doses reduction of anxiety rather than a direct effect may be responsible for muscle relaxation. Meprobamate has been reported to have anticonvulsant actions against petit mal seizures, but not against grand mal seizures (which may be exacerbated). It is used in the treatment of ANXIETY DISORDERS, and also for the short-term management of INSOMNIA but has largely been superseded by the BENZODIAZEPINES. (From Martindale, The Extra Pharmacopoeia, 30th ed, p603) | 2.37 | 2 | 0 | organic molecular entity | |
| mescaline Mescaline: Hallucinogenic alkaloid isolated from the flowering heads (peyote) of Lophophora (formerly Anhalonium) williamsii, a Mexican cactus used in Indian religious rites and as an experimental psychotomimetic. Among its cellular effects are agonist actions at some types of serotonin receptors. It has no accepted therapeutic uses although it is legal for religious use by members of the Native American Church.. mescaline : A phenethylamine alkaloid that is phenethylamine substituted at positions 3, 4 and 5 by methoxy groups. | 2.01 | 1 | 0 | methoxybenzenes; phenethylamine alkaloid; primary amino compound | hallucinogen |
| metformin Metformin: A biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. (From Martindale, The Extra Pharmacopoeia, 30th ed, p289). metformin : A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1. | 2.54 | 2 | 0 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
| 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. | 2.75 | 3 | 0 | alpha,beta-unsaturated monocarboxylic acid | |
| methenamine Methenamine: An anti-infective agent most commonly used in the treatment of urinary tract infections. Its anti-infective action derives from the slow release of formaldehyde by hydrolysis at acidic pH. (From Martindale, The Extra Pharmacopoeia, 30th ed, p173). hexamethylenetetramine : A polycyclic cage that is adamantane in which the carbon atoms at positions 1, 3, 5 and 7 are replaced by nitrogen atoms. | 2.05 | 1 | 0 | polyazaalkane; polycyclic cage; tetramine | antibacterial drug |
| methomyl Methomyl: A carbamate insecticide with anticholinesterase activity.. methomyl : A carbamate ester obtained by the formal condensation of methylcarbamic acid with the hydroxy group of 1-(methylsulfanyl)acetaldoxime. | 2.97 | 4 | 0 | aliphatic sulfide; carbamate ester | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; nematicide; xenobiotic |
| methoxyflurane Methoxyflurane: An inhalation anesthetic. Currently, methoxyflurane is rarely used for surgical, obstetric, or dental anesthesia. If so employed, it should be administered with NITROUS OXIDE to achieve a relatively light level of anesthesia, and a neuromuscular blocking agent given concurrently to obtain the desired degree of muscular relaxation. (From AMA Drug Evaluations Annual, 1994, p180). methoxyflurane : An ether in which the two groups attached to the central oxygen atom are methyl and 2,2-dichloro-1,1-difluoroethyl. | 1.94 | 1 | 0 | ether; organochlorine compound; organofluorine compound | hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic |
| methyl salicylate methyl salicylate: used in over-the-counter liniments, ointments, lotions for relief of musculoskeletal aches and pains; has hemolytic effect on human & sheep erythrocytes; RN given refers to parent cpd; structure in Merck Index, 9th ed, #5990. methyl salicylate : A benzoate ester that is the methyl ester of salicylic acid. | 3.56 | 8 | 0 | benzoate ester; methyl ester; salicylates | flavouring agent; insect attractant; metabolite |
| methyl methanesulfonate [no description available] | 1.97 | 1 | 0 | methanesulfonate ester | alkylating agent; apoptosis inducer; carcinogenic agent; genotoxin; mutagen |
| metronidazole Metronidazole: A nitroimidazole used to treat AMEBIASIS; VAGINITIS; TRICHOMONAS INFECTIONS; GIARDIASIS; ANAEROBIC BACTERIA; and TREPONEMAL INFECTIONS.. metronidazole : A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death. | 1.97 | 1 | 0 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
| metyrapone Metyrapone: An inhibitor of the enzyme STEROID 11-BETA-MONOOXYGENASE. It is used as a test of the feedback hypothalamic-pituitary mechanism in the diagnosis of CUSHING SYNDROME.. metyrapone : An aromatic ketone that is 3,3-dimethylbutan-2-one in which the methyl groups at positions 1 and 4 are replaced by pyridin-3-yl groups. A steroid 11beta-monooxygenase (EC 1.14.15.4) inhibitor, it is used in the diagnosis of adrenal insufficiency. | 1.94 | 1 | 0 | aromatic ketone | antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor |
| mitoxantrone Mitoxantrone: An anthracenedione-derived antineoplastic agent.. mitoxantrone : A dihydroxyanthraquinone that is 1,4-dihydroxy-9,10-anthraquinone which is substituted by 6-hydroxy-1,4-diazahexyl groups at positions 5 and 8. | 1.97 | 1 | 0 | dihydroxyanthraquinone | analgesic; antineoplastic agent |
| myristicin myristicin: asaricin is an isomer; structure; a methylene dioxy version of elemicin; | 3.14 | 5 | 0 | organic molecular entity | metabolite |
| deet N,N-diethyl-m-toluamide : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of m-toluic acid with the nitrogen of diethylamine. First developed by the U.S. Army in 1946 for use by military personnel in insect-infested areas, it is the most widely used insect repellent worldwide. | 2.06 | 1 | 0 | benzamides; monocarboxylic acid amide | environmental contaminant; insect repellent; xenobiotic |
| n-bromoacetamide [no description available] | 2.44 | 2 | 0 | ||
| ethylmaleimide Ethylmaleimide: A sulfhydryl reagent that is widely used in experimental biochemical studies. | 2.92 | 4 | 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 |
| nefopam Nefopam: Non-narcotic analgesic chemically similar to ORPHENADRINE. Its mechanism of action is unclear. It is used for the relief of acute and chronic pain. (From Martindale, The Extra Pharmacopoeia, 30th ed, p26). nefopam : A racemate comprising equal amounts of (R)- and (S)-nefopam. The hydrochloride is a centrally acting non-opiate analgesic commonly used for the treatment of moderate to severe pain.. 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine : A member of the class of benzoxazocines that is 3,4,5,6-tetrahydro-1H-2,5-benzoxazocine substituted by phenyl and methyl groups at positions 1 and 5 respectively. | 2.05 | 1 | 0 | benzoxazocine; tertiary amino compound | |
| neostigmine Neostigmine: A cholinesterase inhibitor used in the treatment of myasthenia gravis and to reverse the effects of muscle relaxants such as gallamine and tubocurarine. Neostigmine, unlike PHYSOSTIGMINE, does not cross the blood-brain barrier.. neostigmine : A quaternary ammonium ion comprising an anilinium ion core having three methyl substituents on the aniline nitrogen, and a 3-[(dimethylcarbamoyl)oxy] substituent at position 3. It is a parasympathomimetic which acts as a reversible acetylcholinesterase inhibitor. | 2.97 | 1 | 0 | quaternary ammonium ion | antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| 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. | 2.03 | 1 | 0 | ||
| nipecotic acid nipecotic acid: RN given refers to cpd without isomeric designation. nipecotic acid : A piperidinemonocarboxylic acid that is piperidine in which one of the hydrogens at position 3 is substituted by a carboxylic acid group. | 2.59 | 2 | 0 | beta-amino acid; piperidinemonocarboxylic acid | |
| ondansetron Ondansetron: A competitive serotonin type 3 receptor antagonist. It is effective in the treatment of nausea and vomiting caused by cytotoxic chemotherapy drugs, including cisplatin, and has reported anxiolytic and neuroleptic properties. | 1.98 | 1 | 0 | carbazoles | |
| 1,2-cyclohexanediamine 1,2-cyclohexanediamine: RN given refers to cpd without isomeric designation | 2.53 | 2 | 0 | primary aliphatic amine | |
| oxazepam Oxazepam: A benzodiazepine used in the treatment of anxiety, alcohol withdrawal, and insomnia.. oxazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a hydroxy group at position 3 and phenyl group at position 5. | 3.12 | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anxiolytic drug; environmental contaminant; xenobiotic |
| oxotremorine m oxotremorine M: structure given in first source | 2.05 | 1 | 0 | quaternary ammonium ion | muscarinic agonist |
| oxotremorine Oxotremorine: A non-hydrolyzed muscarinic agonist used as a research tool. | 2.53 | 2 | 0 | N-alkylpyrrolidine | |
| oxybutynin oxybutynin: RN given refers to parent cpd. oxybutynin : A racemate comprising equimolar amounts of (R)-oxybutynin and esoxybutynin. An antispasmodic used for the treatment of overactive bladder. | 2.25 | 1 | 0 | acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound | antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic |
| 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). | 3.45 | 7 | 0 | 1,4-benzoquinones | cofactor; human xenobiotic metabolite; mouse metabolite |
| pargyline Pargyline: A monoamine oxidase inhibitor with antihypertensive properties. | 3.31 | 6 | 0 | aromatic amine | |
| pd 98059 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one: inhibits MAP kinase kinase (MEK) activity, p42 MAPK and p44 MAPK; structure in first source. 2-(2-amino-3-methoxyphenyl)chromen-4-one : A member of the class of monomethoxyflavones that is 3'-methoxyflavone bearing an additional amino substituent at position 2'. | 2.43 | 2 | 0 | aromatic amine; monomethoxyflavone | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
| pentamidine Pentamidine: Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of PNEUMOCYSTIS pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects.. pentamidine : A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease. | 2.02 | 1 | 0 | aromatic ether; carboxamidine; diether | anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic |
| pentobarbital Pentobarbital: A short-acting barbiturate that is effective as a sedative and hypnotic (but not as an anti-anxiety) agent and is usually given orally. It is prescribed more frequently for sleep induction than for sedation but, like similar agents, may lose its effectiveness by the second week of continued administration. (From AMA Drug Evaluations Annual, 1994, p236). pentobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and sec-pentyl groups. | 2.35 | 2 | 0 | barbiturates | GABAA receptor agonist |
| phenazopyridine Phenazopyridine: A local anesthetic that has been used in urinary tract disorders. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity.. phenazopyridine : A diaminopyridine that is 2,6-diaminopyridine substituted at position 3 by a phenylazo group. A local anesthetic that has topical analgesic effect on mucosa lining of the urinary tract. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity. | 2.05 | 1 | 0 | diaminopyridine; monoazo compound | anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic |
| phenobarbital Phenobarbital: A barbituric acid derivative that acts as a nonselective central nervous system depressant. It potentiates GAMMA-AMINOBUTYRIC ACID action on GABA-A RECEPTORS, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations.. phenobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups. | 3.21 | 6 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
| phenylbutazone Phenylbutazone: A butyl-diphenyl-pyrazolidinedione that has anti-inflammatory, antipyretic, and analgesic activities. It has been used in ANKYLOSING SPONDYLITIS; RHEUMATOID ARTHRITIS; and REACTIVE ARTHRITIS.. phenylbutazone : A member of the class of pyrazolidines that is 1,2-diphenylpyrazolidine-3,5-dione carrying a butyl group at the 4-position. | 1.95 | 1 | 0 | pyrazolidines | antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
| phloretin [no description available] | 1.95 | 1 | 0 | dihydrochalcones | antineoplastic agent; plant metabolite |
| pinacidil Pinacidil: A guanidine that opens POTASSIUM CHANNELS producing direct peripheral vasodilatation of the ARTERIOLES. It reduces BLOOD PRESSURE and peripheral resistance and produces fluid retention. (Martindale The Extra Pharmacopoeia, 31st ed) | 2.01 | 1 | 0 | pyridines | |
| pirenzepine Pirenzepine: An antimuscarinic agent that inhibits gastric secretion at lower doses than are required to affect gastrointestinal motility, salivary, central nervous system, cardiovascular, ocular, and urinary function. It promotes the healing of duodenal ulcers and due to its cytoprotective action is beneficial in the prevention of duodenal ulcer recurrence. It also potentiates the effect of other antiulcer agents such as CIMETIDINE and RANITIDINE. It is generally well tolerated by patients. | 2.13 | 1 | 0 | pyridobenzodiazepine | anti-ulcer drug; antispasmodic drug; muscarinic antagonist |
| potassium chloride Potassium Chloride: A white crystal or crystalline powder used in BUFFERS; FERTILIZERS; and EXPLOSIVES. It can be used to replenish ELECTROLYTES and restore WATER-ELECTROLYTE BALANCE in treating HYPOKALEMIA.. potassium chloride : A metal chloride salt with a K(+) counterion. | 1.94 | 1 | 0 | inorganic chloride; inorganic potassium salt; potassium salt | fertilizer |
| potassium iodide Potassium Iodide: An inorganic compound that is used as a source of iodine in thyrotoxic crisis and in the preparation of thyrotoxic patients for thyroidectomy. (From Dorland, 27th ed). potassium iodide : A metal iodide salt with a K(+) counterion. It is a scavenger of hydroxyl radicals. | 7.49 | 2 | 0 | potassium salt | expectorant; radical scavenger |
| 4-aminobenzoic acid para-Aminobenzoates: Benzoic acids, salts, or esters that contain an amino group attached to carbon number 4 of the benzene ring structure.. 4-aminobenzoate : An aromatic amino-acid anion that is the conjugate base of 4-aminobenzoic acid. | 2.11 | 1 | 0 | aminobenzoate; aromatic amino-acid anion | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
| proadifen Proadifen: An inhibitor of drug metabolism and CYTOCHROME P-450 ENZYME SYSTEM activity. | 2.36 | 2 | 0 | diarylmethane | |
| probenecid Probenecid: The prototypical uricosuric agent. It inhibits the renal excretion of organic anions and reduces tubular reabsorption of urate. Probenecid has also been used to treat patients with renal impairment, and, because it reduces the renal tubular excretion of other drugs, has been used as an adjunct to antibacterial therapy.. probenecid : A sulfonamide in which the nitrogen of 4-sulfamoylbenzoic acid is substituted with two propyl groups. | 1.98 | 1 | 0 | benzoic acids; sulfonamide | uricosuric drug |
| probucol Probucol: A drug used to lower LDL and HDL cholesterol yet has little effect on serum-triglyceride or VLDL cholesterol. (From Martindale, The Extra Pharmacopoeia, 30th ed, p993).. probucol : A dithioketal that is propane-2,2-dithiol in which the hydrogens attached to both sulfur atoms are replaced by 3,5-di-tert-butyl-4-hydroxyphenyl groups. An anticholesteremic drug with antioxidant and anti-inflammatory properties, it is used to treat high levels of cholesterol in blood. | 2 | 1 | 0 | dithioketal; polyphenol | anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug |
| propofol Propofol: An intravenous anesthetic agent which has the advantage of a very rapid onset after infusion or bolus injection plus a very short recovery period of a couple of minutes. (From Smith and Reynard, Textbook of Pharmacology, 1992, 1st ed, p206). Propofol has been used as ANTICONVULSANTS and ANTIEMETICS.. propofol : A phenol resulting from the formal substitution of the hydrogen at the 2 position of 1,3-diisopropylbenzene by a hydroxy group. | 2.07 | 1 | 0 | phenols | anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative |
| propoxur Propoxur: A carbamate insecticide.. propoxur : A carbamate ester that is phenyl methylcarbamate substituted at position 2 by a propan-2-yloxy group. | 1.95 | 1 | 0 | aromatic ether; carbamate ester | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| protopine [no description available] | 2.08 | 1 | 0 | dibenzazecine alkaloid | plant metabolite |
| protoporphyrin ix protoporphyrin IX: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7685. protoporphyrin : A cyclic tetrapyrrole that consists of porphyrin bearing four methyl substituents at positions 3, 8, 13 and 17, two vinyl substituents at positions 7 and 12 and two 2-carboxyethyl substituents at positions 2 and 18. The parent of the class of protoporphyrins. | 1.97 | 1 | 0 | ||
| resorcinol resorcinol: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7951. resorcinol : A benzenediol that is benzene dihydroxylated at positions 1 and 3. | 2.03 | 1 | 0 | benzenediol; phenolic donor; resorcinols | erythropoietin inhibitor; sensitiser |
| rofecoxib [no description available] | 2.06 | 1 | 0 | butenolide; sulfone | analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
| rolipram [no description available] | 7.01 | 1 | 0 | pyrrolidin-2-ones | antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| saccharin Saccharin: Flavoring agent and non-nutritive sweetener.. saccharin : A 1,2-benzisothiazole having a keto-group at the 3-position and two oxo substituents at the 1-position. It is used as an artificial sweetening agent. | 7.47 | 2 | 0 | 1,2-benzisothiazole; N-sulfonylcarboxamide | environmental contaminant; sweetening agent; xenobiotic |
| safrole Safrole: A member of the BENZODIOXOLES that is a constituent of several VOLATILE OILS, notably SASSAFRAS oil. It is a precursor in the synthesis of the insecticide PIPERONYL BUTOXIDE and the drug N-methyl-3,4-methylenedioxyamphetamine (MDMA).. safrole : A member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted by an allyl group at position 5. It is found in several plants, including black pepper, cinnamon and nutmeg, and is present in several essential oils, notably that of sassafras. It has insecticidal properties and has been used as a topical antiseptic. Although not thought to pose a significant carcinogenic risk to humans, findings of weak carcinogenicity in rats have resulted in the banning of its (previously widespread) use in perfumes and soaps, and as a food additive. | 4.8 | 10 | 0 | benzodioxoles | flavouring agent; insecticide; metabolite; plant metabolite |
| salicylamide salamide: a major impurity of hydrochlorothiazide; structure in first source | 2.21 | 1 | 0 | phenols; salicylamides | antirheumatic drug; non-narcotic analgesic |
| secobarbital Secobarbital: A barbiturate that is used as a sedative. Secobarbital is reported to have no anti-anxiety activity.. secobarbital : A member of the class of barbiturates that is barbituric acid in which the hydrogens at position 5 are substituted by prop-2-en-1-yl and pentan-2-yl groups. | 1.94 | 1 | 0 | barbiturates | anaesthesia adjuvant; GABA modulator; sedative |
| sevoflurane Sevoflurane: A non-explosive inhalation anesthetic used in the induction and maintenance of general anesthesia. It does not cause respiratory irritation and may also prevent PLATELET AGGREGATION.. sevoflurane : An ether compound having fluoromethyl and 1,1,1,3,3,3-hexafluoroisopropyl as the two alkyl groups. | 1.98 | 1 | 0 | ether; organofluorine compound | central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor |
| sodium fluoride [no description available] | 2.08 | 1 | 0 | fluoride salt | mutagen |
| sodium iodide Sodium Iodide: A compound forming white, odorless deliquescent crystals and used as iodine supplement, expectorant or in its radioactive (I-131) form as an diagnostic aid, particularly for thyroid function tests.. sodium iodide : A metal iodide salt with a Na(+) counterion. | 7.42 | 2 | 0 | inorganic sodium salt; iodide salt | |
| stearic acid octadecanoic acid : A C18 straight-chain saturated fatty acid component of many animal and vegetable lipids. As well as in the diet, it is used in hardening soaps, softening plastics and in making cosmetics, candles and plastics. | 2.88 | 4 | 0 | long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite |
| sulconazole sulconazole: RN given refers to cpd with unspecified isomeric designation; structure given in first source. sulconazole : A racemate comprising equimolar amounts of (R)- and (S)-sulconazole. An antifungal agent with activity against Candida species, it is used (generally as the nitrate salt) for the topical treatment of fungal skin infections.. 1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole : A member of the class of imidazoles that is 1-ethyl-1H-imidazole in which one of the hydrogens of the methyl group is replaced by a (4-chlorobenzyl)sulfanediyl group while a second is replaced by a 2,4-dichlorophenyl group. | 2.05 | 1 | 0 | dichlorobenzene; imidazoles; monochlorobenzenes; organic sulfide | |
| sulfamerazine [no description available] | 3.69 | 2 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen |
| sulfanilamide [no description available] | 2.41 | 1 | 0 | substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| sulfobromophthalein Sulfobromophthalein: A phenolphthalein that is used as a diagnostic aid in hepatic function determination. | 2.87 | 4 | 0 | 2-benzofurans; organobromine compound; organosulfonic acid; phenols | dye |
| sulforaphane sulforaphane: from Cardaria draba L.. sulforaphane : An isothiocyanate having a 4-(methylsulfinyl)butyl group attached to the nitrogen. | 2.01 | 1 | 0 | isothiocyanate; sulfoxide | antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite |
| tetraethylammonium Tetraethylammonium: A potassium-selective ion channel blocker. (From J Gen Phys 1994;104(1):173-90) | 2.4 | 2 | 0 | quaternary ammonium ion | |
| krypton Krypton: A noble gas that is found in the atmosphere. It has the atomic symbol Kr, atomic number 36, atomic weight 83.80, and has been used in electric bulbs. | 2.02 | 1 | 0 | monoatomic krypton; noble gas atom; p-block element atom | |
| 2,4-thiazolidinedione thiazolidine-2,4-dione: structure in first source. 1,3-thiazolidine-2,4-dione : A thiazolidenedione carrying oxo substituents at positions 2 and 4. | 2.48 | 2 | 0 | thiazolidenedione | |
| tremorine [no description available] | 1.94 | 1 | 0 | N-alkylpyrrolidine | |
| bromoform bromoform: structure | 7.05 | 1 | 0 | bromohydrocarbon; bromomethanes | |
| triclosan [no description available] | 2.25 | 1 | 0 | aromatic ether; dichlorobenzene; monochlorobenzenes; phenols | antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic |
| trifluperidol Trifluperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It is used in the treatment of PSYCHOSES including MANIA and SCHIZOPHRENIA. (From Martindale, The Extra Pharmacopoeia, 30th ed, p621) | 1.94 | 1 | 0 | aromatic ketone | |
| trioxsalen Trioxsalen: Pigmenting photosensitizing agent obtained from several plants, mainly Psoralea corylifolia. It is administered either topically or orally in conjunction with ultraviolet light in the treatment of vitiligo.. lactone : Any cyclic carboxylic ester containing a 1-oxacycloalkan-2-one structure, or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.. antipsoriatic : A drug used to treat psoriasis.. trioxsalen : 7H-Furo[3,2-g]chromen-7-one in which positions 2, 5, and 9 are substituted by methyl groups. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered orally in conjunction with UV-A for phototherapy treatment of vitiligo. After photoactivation it creates interstrand cross-links in DNA, inhibiting DNA synthesis and cell division, and can lead to cell injury; recovery from the cell injury may be followed by increased melanisation of the epidermis. | 1.98 | 1 | 0 | psoralens | dermatologic drug; photosensitizing agent |
| thenoyltrifluoroacetone Thenoyltrifluoroacetone: Chelating agent and inhibitor of cellular respiration. | 1.96 | 1 | 0 | ||
| tyramine [no description available] | 1.96 | 1 | 0 | monoamine molecular messenger; primary amino compound; tyramines | EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter |
| undecylenic acid undecylenic acid: a fatty acid with a terminal double bond. 10-undecenoic acid : An undecenoic acid having its double bond in the 10-position. It is derived from castor oil and is used for the treatment of skin problems.. undecenoic acid : A C11, straight-chain fatty acid carrying a C=C double bond at any position. | 2.06 | 1 | 0 | undecenoic acid | antifungal drug; plant metabolite |
| urethane [no description available] | 4.87 | 11 | 0 | carbamate ester | fungal metabolite; mutagen |
| vesamicol vesamicol: RN given refers to parent cpd; structure | 2.42 | 2 | 0 | piperidines | |
| pirinixic acid pirinixic acid: structure | 1.98 | 1 | 0 | aryl sulfide; organochlorine compound; pyrimidines | |
| 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. | 3.3 | 6 | 0 | inorganic chloride; zinc molecular entity | astringent; disinfectant; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; Lewis acid |
| zolpidem Zolpidem: An imidazopyridine derivative and short-acting GABA-A receptor agonist that is used for the treatment of INSOMNIA.. zolpidem : An imidazo[1,2-a]pyridine compound having a 4-tolyl group at the 2-position, an N,N-dimethylcarbamoylmethyl group at the 3-position and a methyl substituent at the 6-position. | 7.07 | 1 | 0 | imidazopyridine | central nervous system depressant; GABA agonist; sedative |
| mitomycin Mitomycin: An antineoplastic antibiotic produced by Streptomyces caespitosus. It is one of the bi- or tri-functional ALKYLATING AGENTS causing cross-linking of DNA and inhibition of DNA synthesis.. mitomycin : A family of aziridine-containing natural products isolated from Streptomyces caespitosus or Streptomyces lavendulae. | 2.39 | 2 | 0 | mitomycin | alkylating agent; antineoplastic agent |
| corticosterone [no description available] | 2.7 | 3 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
| sorbitol D-glucitol : The D-enantiomer of glucitol (also known as D-sorbitol). | 1.93 | 1 | 0 | glucitol | cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent |
| alloxan Alloxan: Acidic compound formed by oxidation of URIC ACID. It is isolated as an efflorescent crystalline hydrate.. alloxan : A member of the class of pyrimidones, the structure of which is that of perhydropyrimidine substituted at C-2, -4, -5 and -6 by oxo groups. | 2.59 | 2 | 0 | pyrimidone | hyperglycemic agent; metabolite |
| thymidine [no description available] | 3.34 | 7 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
| floxuridine Floxuridine: An antineoplastic antimetabolite that is metabolized to fluorouracil when administered by rapid injection; when administered by slow, continuous, intra-arterial infusion, it is converted to floxuridine monophosphate. It has been used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract.. floxuridine : A pyrimidine 2'-deoxyribonucleoside compound having 5-fluorouracil as the nucleobase; used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract. | 1.94 | 1 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent |
| benzimidazole 1H-benzimidazole : The 1H-tautomer of benzimidazole. | 2.47 | 2 | 0 | benzimidazole; polycyclic heteroarene | |
| hydroxyproline Hydroxyproline: A hydroxylated form of the imino acid proline. A deficiency in ASCORBIC ACID can result in impaired hydroxyproline formation.. hydroxyproline : A proline derivative that is proline substituted by at least one hydroxy group. | 2.45 | 2 | 0 | 4-hydroxyproline; L-alpha-amino acid zwitterion | human metabolite; mouse metabolite; plant metabolite |
| thyroxine Thyroxine: The major hormone derived from the thyroid gland. Thyroxine is synthesized via the iodination of tyrosines (MONOIODOTYROSINE) and the coupling of iodotyrosines (DIIODOTYROSINE) in the THYROGLOBULIN. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine is peripherally deiodinated to form TRIIODOTHYRONINE which exerts a broad spectrum of stimulatory effects on cell metabolism.. thyroxine : An iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions. | 5.01 | 5 | 0 | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
| aldosterone [no description available] | 1.94 | 1 | 0 | 11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde | human metabolite; mouse metabolite |
| estrone Hydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens. | 3.47 | 8 | 0 | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite |
| dehydroepiandrosterone Dehydroepiandrosterone: A major C19 steroid produced by the ADRENAL CORTEX. It is also produced in small quantities in the TESTIS and the OVARY. Dehydroepiandrosterone (DHEA) can be converted to TESTOSTERONE; ANDROSTENEDIONE; ESTRADIOL; and ESTRONE. Most of DHEA is sulfated (DEHYDROEPIANDROSTERONE SULFATE) before secretion.. dehydroepiandrosterone : An androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands. | 2.67 | 3 | 0 | 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid | androgen; human metabolite; mouse metabolite |
| dimethylphenylpiperazinium iodide Dimethylphenylpiperazinium Iodide: A selective nicotinic cholinergic agonist used as a research tool. DMPP activates nicotinic receptors in autonomic ganglia but has little effect at the neuromuscular junction. | 2.39 | 2 | 0 | N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt | nicotinic acetylcholine receptor agonist |
| pentylenetetrazole Pentylenetetrazole: A pharmaceutical agent that displays activity as a central nervous system and respiratory stimulant. It is considered a non-competitive GAMMA-AMINOBUTYRIC ACID antagonist. Pentylenetetrazole has been used experimentally to study seizure phenomenon and to identify pharmaceuticals that may control seizure susceptibility.. pentetrazol : An organic heterobicyclic compound that is 1H-tetrazole in which the hydrogens at positions 1 and 5 are replaced by a pentane-1,5-diyl group. A central and respiratory stimulant, it was formerly used for the treatment of cough and other respiratory tract disorders, cardiovascular disorders including hypotension, and pruritis. | 1.94 | 1 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound | |
| diethylnitrosamine Diethylnitrosamine: A nitrosamine derivative with alkylating, carcinogenic, and mutagenic properties.. N-nitrosodiethylamine : A nitrosamine that is N-ethylethanamine substituted by a nitroso group at the N-atom. | 2.11 | 1 | 0 | nitrosamine | carcinogenic agent; hepatotoxic agent; mutagen |
| (4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride (4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium Chloride: A drug that selectively activates certain subclasses of muscarinic receptors and also activates postganglionic nicotinic receptors. It is commonly used experimentally to distinguish muscarinic receptor subtypes. | 2.35 | 2 | 0 | ||
| isoflurophate Isoflurophate: A di-isopropyl-fluorophosphate which is an irreversible cholinesterase inhibitor used to investigate the NERVOUS SYSTEM. | 2.1 | 1 | 0 | dialkyl phosphate | |
| biguanides Biguanides: Derivatives of biguanide (the structure formula HN(C(NH)NH2)2) that are primarily used as oral HYPOGLYCEMIC AGENTS for the treatment of DIABETES MELLITUS, TYPE 2 and PREDIABETES.. biguanides : A class of oral hypoglycemic drugs used for diabetes mellitus or prediabetes treatment. They have a structure based on the 2-carbamimidoylguanidine skeleton. | 1.94 | 1 | 0 | guanidines | |
| carbon tetrachloride Carbon Tetrachloride: A solvent for oils, fats, lacquers, varnishes, rubber waxes, and resins, and a starting material in the manufacturing of organic compounds. Poisoning by inhalation, ingestion or skin absorption is possible and may be fatal. (Merck Index, 11th ed). tetrachloromethane : A chlorocarbon that is methane in which all the hydrogens have been replaced by chloro groups. | 3.57 | 9 | 0 | chlorocarbon; chloromethanes | hepatotoxic agent; refrigerant |
| cantharidin Cantharidin: A toxic compound, isolated from the Spanish fly or blistering beetle (Lytta (Cantharis) vesicatoria) and other insects. It is a potent and specific inhibitor of protein phosphatases 1 (PP1) and 2A (PP2A). This compound can produce severe skin inflammation, and is extremely toxic if ingested orally.. cantharidin : A monoterpenoid with an epoxy-bridged cyclic dicarboxylic anhydride structure secreted by many species of blister beetle, and most notably by the Spanish fly, Lytta vesicatoria. Natural toxin inhibitor of protein phosphatases 1 and 2A. | 4.3 | 3 | 0 | cyclic dicarboxylic anhydride; monoterpenoid | EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide |
| 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. | 3.62 | 9 | 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 |
| serine Serine: A non-essential amino acid occurring in natural form as the L-isomer. It is synthesized from GLYCINE or THREONINE. It is involved in the biosynthesis of PURINES; PYRIMIDINES; and other amino acids.. serine : An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group. | 3.95 | 13 | 0 | L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| chloramphenicol Amphenicol: Chloramphenicol and its derivatives. | 2.88 | 4 | 0 | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
| aspartic acid Aspartic Acid: One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.. aspartic acid : An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent. L-aspartic acid : The L-enantiomer of aspartic acid. | 5.11 | 8 | 0 | aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; mouse metabolite; neurotransmitter |
| lysine Lysine: An essential amino acid. It is often added to animal feed.. lysine : A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6.. L-lysine : An L-alpha-amino acid; the L-isomer of lysine. | 4.91 | 10 | 0 | aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid | algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
| 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. | 7.33 | 45 | 0 | pseudohalide anion | EC 1.9.3.1 (cytochrome c oxidase) inhibitor |
| physostigmine Physostigmine: A cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity. | 3.54 | 8 | 0 | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
| sulfamic acid sulfamic acid: standard in alkalimetry; RN given refers to parent cpd; structure. sulfamic acid : The simplest of the sulfamic acids consisting of a single sulfur atom covalently bound by single bonds to hydroxy and amino groups and by double bonds to two oxygen atoms. | 3.32 | 6 | 0 | sulfamic acids | |
| sucrose Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar. | 2.93 | 4 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
| 9,10-dimethyl-1,2-benzanthracene 9,10-Dimethyl-1,2-benzanthracene: Polycyclic aromatic hydrocarbon found in tobacco smoke that is a potent carcinogen.. 7,12-dimethyltetraphene : A tetraphene having methyl substituents at the 7- and 12-positions. It is a potent carcinogen and is present in tobacco smoke. | 1.96 | 1 | 0 | ortho-fused polycyclic arene; tetraphenes | carcinogenic agent |
| apomorphine Apomorphine: A derivative of morphine that is a dopamine D2 agonist. It is a powerful emetic and has been used for that effect in acute poisoning. It has also been used in the diagnosis and treatment of parkinsonism, but its adverse effects limit its use. | 2.05 | 1 | 0 | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug |
| aminopyrine Aminopyrine: A pyrazolone with analgesic, anti-inflammatory, and antipyretic properties but has risk of AGRANULOCYTOSIS. A breath test with 13C-labeled aminopyrine has been used as a non-invasive measure of CYTOCHROME P-450 metabolic activity in LIVER FUNCTION TESTS.. aminophenazone : A pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a dimethylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It exhibits analgesic, anti-inflammatory, and antipyretic properties. | 1.93 | 1 | 0 | pyrazolone; tertiary amino compound | antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
| methyltestosterone Methyltestosterone: A synthetic hormone used for androgen replacement therapy and as an hormonal antineoplastic agent (ANTINEOPLASTIC AGENTS, HORMONAL).. methyltestosterone : A 17beta-hydroxy steroid that is testosterone bearing a methyl group at the 17alpha position. | 1.93 | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone | anabolic agent; androgen; antineoplastic agent |
| tetrabenazine 9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one : A benzoquinolizine that is 1,2,3,4,4a,9,10,10a-octahydrophenanthrene in which the carbon at position 10a is replaced by a nitrogen and which is substituted by an isobutyl group at position 2, an oxo group at position 3, and methoxy groups at positions 6 and 7. | 1.95 | 1 | 0 | benzoquinolizine; cyclic ketone; tertiary amino compound | |
| adenosine diphosphate Adenosine Diphosphate: Adenosine 5'-(trihydrogen diphosphate). An adenine nucleotide containing two phosphate groups esterified to the sugar moiety at the 5'-position. | 3.47 | 8 | 0 | adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | fundamental metabolite; human metabolite |
| 2,3,4,6-tetrachlorophenol 2,3,4,6-tetrachlorophenol: RN given refers to parent cpd; see also record for tetrachlorophenol with locants for chloro groups not specified. 2,3,4,6-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 6. | 2.05 | 1 | 0 | tetrachlorophenol | xenobiotic metabolite |
| uridine [no description available] | 5.77 | 17 | 0 | uridines | drug metabolite; fundamental metabolite; human metabolite |
| uridine monophosphate Uridine Monophosphate: 5'-Uridylic acid. A uracil nucleotide containing one phosphate group esterified to the sugar moiety in the 2', 3' or 5' position.. uridine 5'-monophosphate : A pyrimidine ribonucleoside 5'-monophosphate having uracil as the nucleobase. | 2.07 | 1 | 0 | pyrimidine ribonucleoside 5'-monophosphate; uridine 5'-phosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
| bromodeoxyuridine Bromodeoxyuridine: A nucleoside that substitutes for thymidine in DNA and thus acts as an antimetabolite. It causes breaks in chromosomes and has been proposed as an antiviral and antineoplastic agent. It has been given orphan drug status for use in the treatment of primary brain tumors. | 2.47 | 2 | 0 | pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent |
| galactose galactopyranose : The pyranose form of galactose. | 3.93 | 13 | 0 | D-galactose; galactopyranose | Escherichia coli metabolite; mouse metabolite |
| carbostyril Quinolones: A group of derivatives of naphthyridine carboxylic acid, quinoline carboxylic acid, or NALIDIXIC ACID.. quinolin-2(1H)-one : A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2. | 3.86 | 11 | 0 | monohydroxyquinoline; quinolone | bacterial xenobiotic metabolite |
| levodopa Levodopa: The naturally occurring form of DIHYDROXYPHENYLALANINE and the immediate precursor of DOPAMINE. Unlike dopamine itself, it can be taken orally and crosses the blood-brain barrier. It is rapidly taken up by dopaminergic neurons and converted to DOPAMINE. It is used for the treatment of PARKINSONIAN DISORDERS and is usually given with agents that inhibit its conversion to dopamine outside of the central nervous system.. L-dopa : An optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease | 2.01 | 1 | 0 | amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug |
| 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. | 3.06 | 5 | 0 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
| p-dimethylaminoazobenzene p-Dimethylaminoazobenzene: A reagent used mainly to induce experimental liver cancer. According to the Fourth Annual Report on Carcinogens (NTP 85-002, p. 89) published in 1985, this compound may reasonably be anticipated to be a carcinogen. (Merck, 11th ed) | 2.1 | 1 | 0 | azobenzenes | |
| phenylethyl alcohol Phenylethyl Alcohol: An antimicrobial, antiseptic, and disinfectant that is used also as an aromatic essence and preservative in pharmaceutics and perfumery.. 2-phenylethanol : A primary alcohol that is ethanol substituted by a phenyl group at position 2. | 2.43 | 2 | 0 | benzenes; primary alcohol | Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite |
| tyrosine Tyrosine: A non-essential amino acid. In animals it is synthesized from PHENYLALANINE. It is also the precursor of EPINEPHRINE; THYROID HORMONES; and melanin.. tyrosine : An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring. | 4.01 | 14 | 0 | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine | EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
| cysteamine Cysteamine: A mercaptoethylamine compound that is endogenously derived from the COENZYME A degradative pathway. The fact that cysteamine is readily transported into LYSOSOMES where it reacts with CYSTINE to form cysteine-cysteamine disulfide and CYSTEINE has led to its use in CYSTINE DEPLETING AGENTS for the treatment of CYSTINOSIS.. cysteamine : An amine that consists of an ethane skeleton substituted with a thiol group at C-1 and an amino group at C-2. | 1.94 | 1 | 0 | amine; thiol | geroprotector; human metabolite; mouse metabolite; radiation protective agent |
| monomethylhydrazine Monomethylhydrazine: Hydrazine substituted by one methyl group. | 2.08 | 1 | 0 | ||
| phlorhizin [no description available] | 2.35 | 2 | 0 | aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative | antioxidant; plant metabolite |
| adenosine monophosphate Adenosine Monophosphate: Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position. | 3.22 | 6 | 0 | adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate | adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
| n,n-dimethyltryptamine N,N-Dimethyltryptamine: An N-methylated indoleamine derivative and serotonergic hallucinogen which occurs naturally and ubiquitously in several plant species including Psychotria veridis. It also occurs in trace amounts in mammalian brain, blood, and urine, and is known to act as an agonist or antagonist of certain SEROTONIN RECEPTORS.. N,N-dimethyltryptamine : A tryptamine derivative having two N-methyl substituents on the side-chain. | 2.04 | 1 | 0 | tryptamine alkaloid; tryptamines | |
| 4-deoxypyridoxine 4-deoxypyridoxine: RN given refers to parent cpd; structure; pyridoxine antagonist. 4-deoxypyridoxine : A pyridine ring substituted with methyl groups at positions 2 and 4, a hydroxyl at position 3, and a hydroxymethyl group at position 5. | 2.07 | 1 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine | metabolite |
| methylene blue Methylene Blue: A compound consisting of dark green crystals or crystalline powder, having a bronze-like luster. Solutions in water or alcohol have a deep blue color. Methylene blue is used as a bacteriologic stain and as an indicator. It inhibits GUANYLATE CYCLASE, and has been used to treat cyanide poisoning and to lower levels of METHEMOGLOBIN.. methylene blue : An organic chloride salt having 3,7-bis(dimethylamino)phenothiazin-5-ium as the counterion. A commonly used dye that also exhibits antioxidant, antimalarial, antidepressant and cardioprotective properties. | 3.22 | 6 | 0 | organic chloride salt | acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer |
| 4-toluenesulfonic acid 4-toluenesulfonic acid: RN given refers to parent cpd; other RNs in 9th CI Form Index. toluene-4-sulfonic acid : An arenesulfonic acid that is benzenesulfonic acid in which the hydrogen at position 4 is replaced by a methyl group. | 2.07 | 1 | 0 | arenesulfonic acid; toluenes | |
| leucine Leucine: An essential branched-chain amino acid important for hemoglobin formation.. leucine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group. | 3.98 | 14 | 0 | amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
| 4-nitrobenzoic acid 4-nitrobenzoic acid: RN given refers to parent cpd. 4-nitrobenzoic acid : A nitrobenzoic acid having the nitro group at the 4-position. | 2.04 | 1 | 0 | nitrobenzoic acid | |
| ethyl methanesulfonate Ethyl Methanesulfonate: An antineoplastic agent with alkylating properties. It also acts as a mutagen by damaging DNA and is used experimentally for that effect.. ethyl methanesulfonate : A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with ethanol. | 1.97 | 1 | 0 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; genotoxin; mutagen; teratogenic agent |
| aniline [no description available] | 10.34 | 17 | 0 | anilines; primary arylamine | |
| androstenedione Androstenedione: A delta-4 C19 steroid that is produced not only in the TESTIS, but also in the OVARY and the ADRENAL CORTEX. Depending on the tissue type, androstenedione can serve as a precursor to TESTOSTERONE as well as ESTRONE and ESTRADIOL.. androst-4-ene-3,17-dione : A 3-oxo Delta(4)-steroid that is androst-4-ene substituted by oxo groups at positions 3 and 17. It is a steroid hormone synthesized in the adrenal glands and gonads. | 1.96 | 1 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
| lactose Lactose: A disaccharide of GLUCOSE and GALACTOSE in human and cow milk. It is used in pharmacy for tablets, in medicine as a nutrient, and in industry.. lactose : A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form.. beta-lactose : The beta-anomer of lactose. | 2 | 1 | 0 | lactose | |
| methionine Methionine: A sulfur-containing essential L-amino acid that is important in many body functions.. methionine : A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4. | 5.65 | 15 | 0 | aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid | antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical |
| 1,2-dipalmitoylphosphatidylcholine 1,2-Dipalmitoylphosphatidylcholine: Synthetic phospholipid used in liposomes and lipid bilayers to study biological membranes. It is also a major constituent of PULMONARY SURFACTANTS. | 2.71 | 3 | 0 | ||
| 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. | 3.62 | 9 | 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. | 1.96 | 1 | 0 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
| cytidine [no description available] | 2.35 | 2 | 0 | cytidines | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| n-hexanal [no description available] | 3.51 | 7 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | human urinary metabolite |
| oxacillin Oxacillin: An antibiotic similar to FLUCLOXACILLIN used in resistant staphylococci infections.. oxacillin : A penicillin antibiotic carrying a 5-methyl-3-phenylisoxazole-4-carboxamide group at position 6beta. | 2.1 | 1 | 0 | penicillin | antibacterial agent; antibacterial drug |
| cycloheximide Cycloheximide: Antibiotic substance isolated from streptomycin-producing strains of Streptomyces griseus. It acts by inhibiting elongation during protein synthesis.. cycloheximide : A dicarboximide that is 4-(2-hydroxyethyl)piperidine-2,6-dione in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 3,5-dimethyl-2-oxocyclohexyl group. It is an antibiotic produced by the bacterium Streptomyces griseus. | 2.64 | 3 | 0 | antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol | anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor |
| barbituric acid barbituric acid: RN given refers to parent cpd; structure from Merck Index, 9th ed, #966. barbituric acid : A barbiturate, the structure of which is that of perhydropyrimidine substituted at C-2, -4 and -6 by oxo groups. Barbituric acid is the parent compound of barbiturate drugs, although it is not itself pharmacologically active. | 7.59 | 2 | 0 | barbiturates | allergen; xenobiotic |
| chloroform Chloroform: A commonly used laboratory solvent. It was previously used as an anesthetic, but was banned from use in the U.S. due to its suspected carcinogenicity.. chloroform : A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines. | 3.22 | 6 | 0 | chloromethanes; one-carbon compound | carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant |
| dimethyl sulfone [no description available] | 2.11 | 1 | 0 | sulfone | |
| hexachloroethane [no description available] | 3.12 | 1 | 0 | chlorocarbon; chloroethanes | carcinogenic agent; refrigerant |
| bromoacetate [no description available] | 2 | 1 | 0 | carboxylic acid; organohalogen compound | |
| dimethylformamide Dimethylformamide: A formamide in which the amino hydrogens are replaced by methyl groups.. N,N-dimethylformamide : A member of the class of formamides that is formamide in which the amino hydrogens are replaced by methyl groups. | 3.39 | 7 | 0 | formamides; volatile organic compound | geroprotector; hepatotoxic agent; polar aprotic solvent |
| norethindrone Norethindrone: A synthetic progestational hormone with actions similar to those of PROGESTERONE but functioning as a more potent inhibitor of ovulation. It has weak estrogenic and androgenic properties. The hormone has been used in treating amenorrhea, functional uterine bleeding, endometriosis, and for CONTRACEPTION.. norethisterone : A 17beta-hydroxy steroid that is testosterone in which the hydrogen at position 17 is replaced by an ethynyl group and in which the methyl group attached to position 10 is replaced by hydrogen. | 1.94 | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol | progestin; synthetic oral contraceptive |
| hexachloro-4-xylene hexachloro-4-xylene: structure | 2.41 | 1 | 0 | ||
| chlorisondamine Chlorisondamine: A nicotinic antagonist used primarily as a ganglionic blocker in animal research. It has been used as an antihypertensive agent but has been supplanted by more specific drugs in most clinical applications. | 1.94 | 1 | 0 | isoindoles | |
| tubercidin Tubercidin: An antibiotic purine ribonucleoside that readily substitutes for adenosine in the biological system, but its incorporation into DNA and RNA has an inhibitory effect on the metabolism of these nucleic acids.. tubercidin : An N-glycosylpyrrolopyrimidine that is adenosine in which the in the 5-membered ring that is not attached to the ribose moiety is replaced by a carbon. Tubercidin is produced in the culture broth of Streptomyces tubericidus. | 2.15 | 1 | 0 | antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside | antimetabolite; antineoplastic agent; bacterial metabolite |
| mannitol [no description available] | 2.93 | 4 | 0 | mannitol | allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent |
| dithionitrobenzoic acid Dithionitrobenzoic Acid: A standard reagent for the determination of reactive sulfhydryl groups by absorbance measurements. It is used primarily for the determination of sulfhydryl and disulfide groups in proteins. The color produced is due to the formation of a thio anion, 3-carboxyl-4-nitrothiophenolate.. dithionitrobenzoic acid : An organic disulfide that results from the formal oxidative dimerisation of 2-nitro-5-thiobenzoic acid. An indicator used to quantify the number or concentration of thiol groups. | 1.96 | 1 | 0 | nitrobenzoic acid; organic disulfide | indicator |
| ornithine Ornithine: An amino acid produced in the urea cycle by the splitting off of urea from arginine.. ornithine : An alpha-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5. | 2.07 | 1 | 0 | non-proteinogenic L-alpha-amino acid; ornithine | algal metabolite; hepatoprotective agent; mouse metabolite |
| asparagine Asparagine: A non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. It is biosynthesized from ASPARTIC ACID and AMMONIA by asparagine synthetase. (From Concise Encyclopedia Biochemistry and Molecular Biology, 3rd ed). asparagine : An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 2-amino-2-oxoethyl group. | 2.75 | 3 | 0 | amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
| 4-toluenesulfonamide 4-toluenesulfonamide: RN given refers to parent cpd. toluene-4-sulfonamide : A sulfonamide that is benzenesulfonamide bearing a methyl group at position 4. | 2.05 | 1 | 0 | sulfonamide | |
| histidine Histidine: An essential amino acid that is required for the production of HISTAMINE.. L-histidine : The L-enantiomer of the amino acid histidine.. histidine : An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3. | 3.15 | 5 | 0 | amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
| n-pentanol n-pentanol: RN given refers to parent cpd. pentan-1-ol : A short-chain primary fatty alcohol that is pentane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Melicope ptelefolia. | 3.58 | 9 | 0 | pentanol; short-chain primary fatty alcohol | human metabolite; plant metabolite |
| medroxyprogesterone acetate [no description available] | 2 | 1 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester | adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive |
| 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. | 3.49 | 8 | 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 |
| threonine Threonine: An essential amino acid occurring naturally in the L-form, which is the active form. It is found in eggs, milk, gelatin, and other proteins.. threonine : An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 1-hydroxyethyl group. | 3.75 | 3 | 0 | amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
| tryptophan Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.. tryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3. | 5.02 | 13 | 0 | erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan | antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
| isoleucine Isoleucine: An essential branched-chain aliphatic amino acid found in many proteins. It is an isomer of LEUCINE. It is important in hemoglobin synthesis and regulation of blood sugar and energy levels.. isoleucine : A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration.. L-isoleucine : The L-enantiomer of isoleucine. | 2.92 | 4 | 0 | aspartate family amino acid; isoleucine; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
| arginine Arginine: An essential amino acid that is physiologically active in the L-form.. arginine : An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group. | 4.05 | 4 | 0 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
| methyl bromide methyl bromide: used in ionization chambers, degreasing wool, extracting oils; insect fumigant; high concentrations can produce pulmonary edema,narcosis; chronic exposure can cause CNS depression,kidney injury; RN given refers to parent cpd; structure. bromomethane : A one-carbon compound in which the carbon is attached by single bonds to three hydrogen atoms and one bromine atom. It is produced naturally by marine algae. | 2.48 | 2 | 0 | bromohydrocarbon; bromomethanes; methyl halides | algal metabolite; fumigant insecticide; marine metabolite |
| ethane Ethane: A two carbon alkane with the formula H3C-CH3.. ethane : An alkane comprising of two carbon atoms. | 5.27 | 16 | 0 | alkane; gas molecular entity | plant metabolite; refrigerant |
| ethylene Plastipore: high density polyethylene sponge biocompatible material; used as posts in dental bridges | 8.64 | 135 | 0 | alkene; gas molecular entity | plant hormone; refrigerant |
| acetylene [no description available] | 7.18 | 39 | 0 | alkyne; gas molecular entity; terminal acetylenic compound | |
| methyl chloride Methyl Chloride: A hydrocarbon used as an industrial solvent. It has been used as an aerosal propellent, as a refrigerant and as a local anesthetic. (From Martindale, The Extra Pharmacopoeia, 31st ed, p1403). chlorocarbon : Compounds consisting wholly of chlorine and carbon.. chloromethane : A one-carbon compound that is methane in which one of the hydrogens is replaced by a chloro group. | 2.37 | 2 | 0 | chloromethanes; methyl halides | marine metabolite; mutagen; refrigerant |
| methyl iodide methyl iodide: RN given refers to unlabeled cpd with MF of CH3-I. iodomethane : A member of the class of iodomethanes that is methane in which one of the hydrogens is replaced by iodine. | 2.8 | 3 | 0 | iodomethanes; methyl halides | fumigant insecticide |
| methylamine methyl group : An alkyl group that is the univalent group derived from methane by removal of a hydrogen atom. | 7.04 | 1 | 0 | methylamines; one-carbon compound; primary aliphatic amine | mouse metabolite |
| 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. | 7.33 | 55 | 0 | boranes; mononuclear parent hydride | |
| propane Propane: A three carbon alkane with the formula H3CCH2CH3. | 6.47 | 57 | 0 | alkane; gas molecular entity | food propellant |
| methylacetylene methylacetylene: structure | 3.42 | 7 | 0 | alkyne; gas molecular entity; terminal acetylenic compound | |
| vinyl chloride Vinyl Chloride: A gas that has been used as an aerosol propellant and is the starting material for polyvinyl resins. Toxicity studies have shown various adverse effects, particularly the occurrence of liver neoplasms.. chloroethene : A monohaloethene that is ethene in which one of the hydrogens has been replaced by a chloro group. | 3.5 | 8 | 0 | chloroethenes; gas molecular entity; monohaloethene | carcinogenic agent |
| vinyl fluoride [no description available] | 2.38 | 2 | 0 | gas molecular entity; monohaloethene | |
| acetonitrile acetonitrile: RN given refers to unlabeled cpd. acetonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group. | 9.43 | 20 | 0 | aliphatic nitrile; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent |
| methylene chloride Methylene Chloride: A chlorinated hydrocarbon that has been used as an inhalation anesthetic and acts as a narcotic in high concentrations. Its primary use is as a solvent in manufacturing and food technology.. dichloromethane : A member of the class of chloromethanes that is methane in which two of the hydrogens have been replaced by chlorine. A dense, non-flammible colourless liquid at room temperature (b.p. 40degreeC, d = 1.33) which is immiscible with water, it is widely used as a solvent, a paint stripper, and for the removal of caffeine from coffee and tea. | 3.37 | 6 | 0 | chloromethanes; volatile organic compound | carcinogenic agent; polar aprotic solvent; refrigerant |
| methylene iodide methylene iodide: RN given refers to parent cpd | 2.46 | 2 | 0 | ||
| carbon disulfide Carbon Disulfide: A colorless, flammable, poisonous liquid, CS2. It is used as a solvent, and is a counterirritant and has local anesthetic properties but is not used as such. It is highly toxic with pronounced CNS, hematologic, and dermatologic effects. | 2.69 | 3 | 0 | one-carbon compound; organosulfur compound | |
| cyclopropane cyclopropane : A cycloalkane composed of three carbon atoms to form a ring. | 11.02 | 34 | 0 | cycloalkane; cyclopropanes | inhalation anaesthetic |
| 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. | 4.3 | 19 | 0 | gas molecular entity; oxacycle; saturated organic heteromonocyclic parent | allergen; mouse metabolite; mutagen |
| boron trifluoride [no description available] | 4.09 | 4 | 0 | boron fluoride | NMR chemical shift reference compound |
| bromodichloromethane bromodichloromethane: RN given refers to parent cpd. bromodichloromethane : A halomethane that is dichloromethane in which oneof the hydrogens has been replaced by a bromine atom. It occurs as a contaminant in drinking water. | 1.92 | 1 | 0 | halomethane | environmental contaminant; reagent |
| 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. | 2.37 | 2 | 0 | chloroethenes | carcinogenic agent; mouse metabolite; mutagen |
| acetyl chloride [no description available] | 2.02 | 1 | 0 | acyl chloride | |
| 1,1-difluoroethane [no description available] | 2.03 | 1 | 0 | ||
| 1,1-difluoroethylene 1,1-difluoroethylene: structure | 2.43 | 2 | 0 | olefinic compound; organofluorine compound | |
| phosgene Phosgene: A highly toxic gas that has been used as a chemical warfare agent. It is an insidious poison as it is not irritating immediately, even when fatal concentrations are inhaled. (From The Merck Index, 11th ed, p7304). phosgene : An acyl chloride obtained by substitution of both hydrogens of formaldehyde by chlorine.. chloroketone : A ketone containing a chloro substituent. | 1.94 | 1 | 0 | acyl chloride | |
| fluorocarbon 22 [no description available] | 2.41 | 1 | 0 | hydrochlorofluorocarbon | |
| fluoroform fluoroform: structure | 3.34 | 6 | 0 | fluoromethanes | refrigerant |
| iodoform [no description available] | 1.92 | 1 | 0 | iodomethanes | |
| nitromethane nitromethane: structure. nitromethane : A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models. | 2.8 | 3 | 0 | primary nitroalkane; volatile organic compound | EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; explosive; NMR chemical shift reference compound; polar aprotic solvent |
| propyleneimine [no description available] | 2.05 | 1 | 0 | aziridines | |
| propylene oxide propylene oxide: structure. 1,2-epoxypropane : An epoxide that is oxirane substituted by a methyl group at position 2. | 4.24 | 18 | 0 | epoxide | |
| bromotrichloromethane Bromotrichloromethane: A potent liver poison. In rats, bromotrichloromethane produces about three times the degree of liver microsomal lipid peroxidation as does carbon tetrachloride. | 2.03 | 1 | 0 | ||
| tert-butyl alcohol tert-Butyl Alcohol: An isomer of butanol that contains a tertiary butyl group that consists of three methyl groups, each separately attached to a central (tertiary) carbon.. tert-butanol : A tertiary alcohol alcohol that is isobutane substituted by a hydroxy group at position 2. | 2.44 | 2 | 0 | tertiary alcohol | human xenobiotic metabolite |
| methanesulfonic acid [no description available] | 2.11 | 1 | 0 | alkanesulfonic acid; one-carbon compound | Escherichia coli metabolite |
| trimethylchlorosilane trimethylsilyl chloride: structure in first source. chlorotrimethylsilane : A silyl chloride consisting of a central silicon atom covalently bound to one chloro and three methyl groups. Chlorotrimethylsilane is a derivatisation agent used in gas chromatography/mass spectrometry applications. | 1.99 | 1 | 0 | silyl chloride | chromatographic reagent |
| acetone cyanohydrin acetone cyanohydrin: RN given refers to unlabeled cpd; structure | 2.1 | 1 | 0 | cyanohydrin | |
| 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. | 2.52 | 2 | 0 | fluoroalcohol | |
| tert-butylhydroperoxide tert-Butylhydroperoxide: A direct-acting oxidative stress-inducing agent used to examine the effects of oxidant stress on Ca(2+)-dependent signal transduction in vascular endothelial cells. It is also used as a catalyst in polymerization reactions and to introduce peroxy groups into organic molecules.. tert-butyl hydroperoxide : An alkyl hydroperoxide in which the alkyl group is tert-butyl. It is widely used in a variety of oxidation processes. | 8.94 | 12 | 0 | alkyl hydroperoxide | antibacterial agent; oxidising agent |
| pinacolone pinacolone: a metabolite of soman. 3,3-dimethylbutan-2-one : A methyl ketone that is butane substituted by an oxo group at position 2 and two methyl groups at position 3. | 2.11 | 1 | 0 | dialkyl ketone; methyl ketone | |
| 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. | 2.06 | 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. | 3.92 | 12 | 0 | fluoroalkanoic acid | human xenobiotic metabolite; NMR chemical shift reference compound; reagent |
| gibberellic acid gibberellic acid: RN given refers to (1alpha,2beta,4aalpha,4bbeta,10beta)-isomer; structure. gibberellin A3 : A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi,it differs from gibberellin A1 in the presence of a double bond between C-3 and C-4. | 2.58 | 2 | 0 | C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound | mouse metabolite; plant metabolite |
| 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. | 3.48 | 2 | 0 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
| 1,3-dibromo-5,5-dimethylhydantoin [no description available] | 2.07 | 1 | 0 | ||
| divinyl sulfone divinyl sulfone: cross-linking reagent for agarose gels. divinyl sulfone : A sulfone compound having two S-vinyl substituents. | 3.02 | 4 | 0 | sulfone | cross-linking reagent |
| tabun tabun: proposed as military nerve gas and exptl cholinesterase inhibitor; extremely poisonous; structure | 2.07 | 1 | 0 | ||
| 2-acetyltributylcitrate [no description available] | 2.13 | 1 | 0 | organooxygen compound | |
| 3-mercaptopropionic acid 3-Mercaptopropionic Acid: An inhibitor of glutamate decarboxylase. It decreases the GAMMA-AMINOBUTYRIC ACID concentration in the brain, thereby causing convulsions.. 3-mercaptopropanoic acid : A mercaptopropanoic acid that is propanoic acid carrying a sulfanyl group at position 3. | 2.63 | 2 | 0 | mercaptopropanoic acid | algal metabolite |
| linalool linalool: RN given refers to parent cpd without isomeric designation; structure. linalool : A monoterpenoid that is octa-1,6-diene substituted by methyl groups at positions 3 and 7 and a hydroxy group at position 3. It has been isolated from plants like Ocimum canum. | 4.92 | 33 | 0 | monoterpenoid; tertiary alcohol | antimicrobial agent; fragrance; plant metabolite; volatile oil component |
| isoprene isoprene: used in manufacture of ''synthetic'' rubber, butyl rubber; copolymer in production of elastomers; structure. isoprene : A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds. | 6.89 | 51 | 0 | alkadiene; hemiterpene; volatile organic compound | plant metabolite |
| isobutyraldehyde isobutyraldehyde : A member of the class of propanals that is propanal substituted by a methyl group at position 2. | 3.16 | 5 | 0 | 2-methyl-branched fatty aldehyde; propanals | Saccharomyces cerevisiae metabolite |
| propylene dichloride propylene dichloride: Russian drug; structure. 1,2-dichloropropane : A chloroalkane that is propane in which a hydrogen from each of two adjacent carbons has been replaced by chlorines. | 3.23 | 6 | 0 | chloroalkane; volatile organic compound | |
| 3-buten-2-one buten-2-one : A methyl ketone that is butan-2-one with an unsaturation at position 3. | 3.28 | 6 | 0 | enone; methyl ketone | |
| trichloroethylene Trichloroethylene: A highly volatile inhalation anesthetic used mainly in short surgical procedures where light anesthesia with good analgesia is required. It is also used as an industrial solvent. Prolonged exposure to high concentrations of the vapor can lead to cardiotoxicity and neurological impairment.. triol : A chemical compound containing three hydroxy groups. | 3.48 | 8 | 0 | chloroethenes | inhalation anaesthetic; mouse metabolite |
| acrylamide [no description available] | 4.63 | 8 | 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. | 8.9 | 12 | 0 | alpha,beta-unsaturated monocarboxylic acid | metabolite |
| methyl acetate methyl acetate : An acetate ester resulting from the formal condensation of acetic acid with methanol. A low-boiling (57 degreeC) colourless, flammable liquid, it is used as a solvent for many resins and oils. | 2.44 | 2 | 0 | acetate ester; methyl ester; volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; fragrance; polar aprotic solvent |
| peracetic acid Peracetic Acid: A liquid that functions as a strong oxidizing agent. It has an acrid odor and is used as a disinfectant.. peracetic acid : A peroxy acid that is acetic acid in which the OH group is substituted by a hydroperoxy group. It is a versatile oxidising agent that is used as a disinfectant. | 8.53 | 8 | 0 | a peroxy acid | disinfectant; oxidising agent |
| camphene camphene : A monoterpene with a bicyclic skeleton that is bicyclo[2.2.1]heptane substituted by geminal methyl groups at position 2 and a methylidene group at position 3. It is a widespread natural product found in many essential oils. | 2.51 | 2 | 0 | carbobicyclic compound; monoterpene | fragrance; plant metabolite |
| bisphenol a 4,4'-isopropylidene diphenol: stimulates proliferative responses and cytokine productions of murine spleen cells and thymus cells in vitro. bisphenol : By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom.. bisphenol A : A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups. | 2.42 | 2 | 0 | bisphenol | endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen |
| cumene hydroperoxide cumene hydroperoxide: RN given refers to parent cpd. cumene hydroperoxide : A peroxol that is cumene in which the alpha-hydrogen is replaced by a hydroperoxy group. | 2.68 | 3 | 0 | peroxol | environmental contaminant; Mycoplasma genitalium metabolite; oxidising agent |
| methyl 4-toluene sulfonate methyl 4-toluene sulfonate: catalyst in dental impression; material Scutan causing contact dermatitis; structure | 2.41 | 1 | 0 | ||
| alpha-pinene [no description available] | 5.12 | 40 | 0 | pinene | plant 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. | 2.73 | 3 | 0 | enoate ester; methyl ester | allergen; polymerisation monomer |
| skatole [no description available] | 2.67 | 3 | 0 | methylindole | human metabolite; mammalian metabolite |
| lawsone lawsone: a molluscacide from leaves of Lawsonia inermis L. topical sunscreening agent; structure; powdered leaves of Lawsonia inermis(Lythraceae) used as brown hair dye. lawsone : 1,4-Naphthoquinone carrying a hydroxy function at C-2. It is obtained from the leaves of Lawsonia inermis. | 7.54 | 2 | 0 | ||
| rotenone Derris: A plant genus of the family FABACEAE. The root is a source of rotenoids (ROTENONE) and flavonoids. Some species of Pongamia have been reclassified to this genus and some to MILLETTIA. Some species of Deguelia have been reclassified to this genus.. rotenoid : Members of the class of tetrahydrochromenochromene that consists of a cis-fused tetrahydrochromeno[3,4-b]chromene skeleton and its substituted derivatives. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds. | 1.97 | 1 | 0 | organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin |
| dichlorodicyanobenzoquinone dichlorodicyanobenzoquinone: request from searcher | 2.05 | 1 | 0 | ||
| 9,10-anthraquinone 9,10-anthraquinone : An anthraquinone that is anthracene in which positions 9 and 10 have been oxidised to carbonyls. | 2.01 | 1 | 0 | anthraquinone | |
| phthalimide phthalimide: RN given refers to parent cpd. phthalimide : A dicarboximide that is 2,3-dihydro-1H-isoindole substituted by oxo groups at positions 1 and 3. | 2.46 | 2 | 0 | phthalimides | |
| brompheniramine Brompheniramine: Histamine H1 antagonist used in treatment of allergies, rhinitis, and urticaria.. brompheniramine : Pheniramine in which the hydrogen at position 4 of the phenyl substituent is substituted by bromine. A histamine H1 receptor antagonist, brompheniramine is used (commonly as its maleate salt) for the symptomatic relief of allergic conditions, including rhinitis and conjunctivitis. | 2.41 | 1 | 0 | organobromine compound; pyridines | anti-allergic agent; H1-receptor antagonist |
| 1-naphthoic acid naphthoic acid : An aromatic carboxylic acid that consists of a naphthalene skeleton substituted by one or more carboxy groups. | 2.05 | 1 | 0 | naphthoic acid | bacterial xenobiotic metabolite; fungal xenobiotic metabolite |
| fluorene [no description available] | 2.15 | 1 | 0 | ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon | |
| carbazole carbazole: structure in first source | 2.13 | 1 | 0 | carbazole | |
| 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. | 3.39 | 6 | 0 | 2-benzofurans; gamma-lactone | |
| penicillanic acid Penicillanic Acid: A building block of penicillin, devoid of significant antibacterial activity. (From Merck Index, 11th ed). penicillanic acid : A penam that consists of 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane bearing a carboxy group at position 2 and having (2S,5R)-configuration. | 2 | 1 | 0 | penicillanic acids | |
| hexachlorobutadiene hexachlorobutadiene: a potent nephrotoxicant in rats; structure | 1.93 | 1 | 0 | organochlorine compound | |
| hexabromobenzene [no description available] | 2.07 | 1 | 0 | ||
| xylitol xylooligosaccharide: structure in first source. pentitol : An alditol obtained by reduction of any pentose.. xylooligosaccharide : An oligosaccharide comprised of xylose residues. | 2.48 | 2 | 0 | ||
| n-vinyl-2-pyrrolidinone N-vinyl-2-pyrrolidinone: monomer of POVIDONE; structure given in first source | 3.1 | 5 | 0 | pyrrolidin-2-ones | |
| 2,3,5-triiodobenzoic acid 2,3,5-triiodobenzoic acid: inhibitor of auxin transport; RN given refers to parent cpd. 2,3,5-triiodobenzoic acid : A member of the class of benzoic acids that is benzoic acid in which the hydrogens at positions 2, 3 and 5 are replaced by iodine atoms. It is an auxin polar transport inhibitor. | 3.14 | 1 | 0 | benzoic acids; organoiodine compound | antiauxins |
| picric acid picric acid: used as antiseptic, astringent & stimulant for epitheliazation; structure. picric acid : A C-nitro compound comprising phenol having three nitro substtituents at the 2-, 4- and 6-positions. | 2.03 | 1 | 0 | C-nitro compound | antiseptic drug; explosive; fixative |
| thymol Thymol: A phenol obtained from thyme oil or other volatile oils used as a stabilizer in pharmaceutical preparations, and as an antiseptic (antibacterial or antifungal) agent.. thymol : A phenol that is a natural monoterpene derivative of cymene. | 3.21 | 5 | 0 | monoterpenoid; phenols | volatile oil component |
| 2-chlorobenzaldehyde [no description available] | 2.43 | 2 | 0 | ||
| salicylaldehyde o-hydroxybenzaldehyde: structure in first source | 7.99 | 4 | 0 | hydroxybenzaldehyde | nematicide; plant metabolite |
| 1-naphthylphenylamine N-phenyl-1-naphthylamine: RN given refers to 1-naphthylamine cpd; structure | 2.01 | 1 | 0 | naphthalenes | |
| bicyclohexanone bicyclohexanone: structure | 2.13 | 1 | 0 | ||
| anthrone anthrone: used in colorimetric determination of sugar & animal starch in body fluids; structure. anthrone : A member of the class of anthracenes that is 9,10-dihydroanthracene carrying an oxo group at C-9. | 2.03 | 1 | 0 | anthracenone | radical scavenger |
| pseudoephedrine Pseudoephedrine: A phenethylamine that is an isomer of EPHEDRINE which has less central nervous system effects and usage is mainly for respiratory tract decongestion.. pseudoephedrine : A member of the class of the class of phenylethanolamines that is (1S)-2-(methylamino)-1-phenylethan-1-ol in which the pro-S hydrogen at position 2 is replaced by a methyl group. | 2.45 | 2 | 0 | phenylethanolamines; secondary alcohol; secondary amino compound | anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
| pyrogallol 1,3-dimethyl ether pyrogallol 1,3-dimethyl ether: structure. 2,6-dimethoxyphenol : A member of the class of phenols that is phenol substituted by methoxy groups at positions 2 and 6. | 2.15 | 1 | 0 | dimethoxybenzene; phenols | plant metabolite |
| decalin decalin: RN given refers to cpd without isomeric designation; don't confuse with decaline which has a nitrogen at the juncture of the two rings;. trans-decalin : The trans-stereoisomer of decalin.. decalin : An ortho-fused bicyclic hydrocarbon that is the decahydro- derivative of naphthalene. | 3.28 | 6 | 0 | ortho-fused bicyclic hydrocarbon | solvent |
| quinoxalines quinoxaline : A naphthyridine in which the nitrogens are at positions 1 and 4. | 2.8 | 3 | 0 | mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene | |
| quinoline [no description available] | 3.74 | 9 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines | |
| isatin tribulin: endogenous MONOAMINE OXIDASE inhibitory activity extractable into ethyl acetate found in brain and many mammalian tissues and fluids; ISATIN is a major component; produced in excess following alcohol withdrawal; | 8.77 | 10 | 0 | indoledione | EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
| 2-naphthalenethiol [no description available] | 2.02 | 1 | 0 | naphthalenes | |
| 2-methylquinoline 2-methylquinoline: RN given refers to parent cpd. methylquinoline : Any member of the class of quinolines carrying at least one methyl substituent.. quinaldine : A quinoline compound in which the quinoline skeleton is substituted at C-2 with a methyl group. | 1.92 | 1 | 0 | quinolines | |
| diphenyl diphenyl: RN given refers to unlabeled cpd; structure | 8.22 | 6 | 0 | aromatic fungicide; benzenes; biphenyls | antifungal agrochemical; antimicrobial food preservative |
| xanthenes Xanthenes: Compounds with three aromatic rings in linear arrangement with an OXYGEN in the center ring. | 3.46 | 7 | 0 | xanthene | |
| benzidine benzidine: RN given refers to parent cpd. benzidine : A member of the class of biphenyls that is 1,1'-biphenyl in which the hydrogen at the para-position of each phenyl group has been replaced by an amino group. | 2.38 | 2 | 0 | biphenyls; substituted aniline | carcinogenic agent |
| veratryl alcohol (3,4-dimethoxyphenyl)methanol : A member of the class of benzyl alcohols that is benzyl alcohol in which the hydrogens at positions 3 and 4 of the phenyl group are substituted by methoxy groups. | 2 | 1 | 0 | benzyl alcohols; dimethoxybenzene; primary alcohol | fungal metabolite |
| methyleugenol methyleugenol: structure | 3.12 | 1 | 0 | phenylpropanoid | |
| 1-phenylpropanol 1-phenylpropanol: structure in first source | 2.5 | 2 | 0 | organic molecular entity | |
| methyl benzoate methyl benzoate : A benzoate ester obtained by condensation of benzoic acid and methanol. | 2.5 | 2 | 0 | benzoate ester; methyl ester | insect attractant; metabolite |
| methyl nicotinate methyl nicotinate: erythema provoked is basis of a methylnicotinate test of anti-inflammatories | 2.05 | 1 | 0 | aromatic carboxylic acid; pyridines | |
| synephrine [no description available] | 3.12 | 1 | 0 | ethanolamines; phenethylamine alkaloid; phenols | alpha-adrenergic agonist; plant metabolite |
| propylparaben Parabens: Methyl, propyl, butyl, and ethyl esters of p-hydroxybenzoic acid. They have been approved by the FDA as antimicrobial agents for foods and pharmaceuticals. (From Hawley's Condensed Chemical Dictionary, 11th ed, p872) | 2.45 | 2 | 0 | benzoate ester; paraben; phenols | antifungal agent; antimicrobial agent |
| benzoyl peroxide Benzoyl Peroxide: A peroxide derivative that has been used topically for BURNS and as a dermatologic agent in the treatment of ACNE and POISON IVY DERMATITIS. It is used also as a bleach in the food industry. | 2.63 | 2 | 0 | carbonyl compound | |
| indene indene: structure in first source. 1H-indene : An ortho-fused bicyclic arene comprising of benzene and cyclopentene rings. | 3 | 4 | 0 | indene; ortho-fused bicyclic arene | |
| 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. | 2.08 | 1 | 0 | benzotriazoles | environmental contaminant; xenobiotic |
| benzothiophene [no description available] | 2.98 | 4 | 0 | 1-benzothiophenes; benzothiophene | |
| benzothiazole benzothiazole: structure. benzothiazole : An organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles. | 2.11 | 1 | 0 | benzothiazoles | environmental contaminant; plant metabolite; xenobiotic |
| 2-xylene 2-xylene: RN given refers to parent cpd. o-xylene : A xylene substituted by methyl groups at positions 1 and 2. | 2.46 | 2 | 0 | xylene | |
| 2-chloroaniline [no description available] | 2.11 | 1 | 0 | ||
| pseudocumene 1,2,4-trimethylbenzene : A trimethylbenzene carrying methyl groups at positions 1, 2 and 4. | 2.13 | 1 | 0 | trimethylbenzene | neurotoxin |
| styrene oxide styrene oxide: structure. styrene oxide : An epoxide that is oxirane in which one of the hydrogens has been replaced by a phenyl group. | 3.13 | 5 | 0 | epoxide | human xenobiotic metabolite |
| 1,2-dibromo-3-chloropropane 1,2-dibromo-3-chloropropane: RN given refers to cpd with specified locants for bromine & chlorine moieties | 1.99 | 1 | 0 | organochlorine compound | |
| 3-methylpentane 3-methylpentane : An alkane that is pentane which is substituted by a methyl group at position 3. It is used as a solvent in organic synthesis, as a lubricant and as a raw material for producing carbon black. | 2.44 | 2 | 0 | alkane; volatile organic compound | allelochemical; human metabolite; non-polar solvent |
| methyl acrylate [no description available] | 3.42 | 7 | 0 | enoate ester | |
| cyclopentanol [no description available] | 2.47 | 2 | 0 | cyclopentanols | |
| 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. | 6.32 | 28 | 0 | butan-4-olide | metabolite; neurotoxin |
| ethylene carbonate [no description available] | 2.1 | 1 | 0 | carbonate ester | |
| n-methylpyrrole [no description available] | 2.01 | 1 | 0 | pyrroles | |
| 4,4'-thiobis(6-tert-butyl-3-cresol) 4,4'-thiobis(6-tert-butyl-3-cresol): structure given in first source | 3.12 | 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. | 2.03 | 1 | 0 | ethyl ester; lactate ester; secondary alcohol | metabolite |
| ethylene dimethacrylate ethylene glycol dimethacrylate : The enoate ester that is the 1,2-bis(methacryloyl) derivative of ethylene glycol. | 2.02 | 1 | 0 | enoate ester | allergen; cross-linking reagent; polymerisation monomer |
| triethylborane triethylborane: used in the radical deuteration reaction of ribonucleoside derivatives | 3.52 | 2 | 0 | ||
| furaldehyde Furaldehyde: A heterocyclic compound consisting of a furan where the hydrogen at position 2 is substituted by a formyl group.. furfural : An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group. | 4.35 | 6 | 0 | aldehyde; furans | Maillard reaction product; metabolite |
| benzotrifluoride alpha,alpha,alpha-trifluorotoluene: structure in first source. (trifluoromethyl)benzene : A fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group. | 2.41 | 1 | 0 | (trifluoromethyl)benzenes; fluorohydrocarbon | environmental contaminant; NMR chemical shift reference compound; solvent |
| 3-nitrobenzenesulfonic acid 3-nitrobenzenesulfonic acid: RN for 3-nitrobenzenesulfonic acid | 2.48 | 2 | 0 | ||
| pyrrolidonecarboxylic acid Pyrrolidonecarboxylic Acid: A cyclized derivative of L-GLUTAMIC ACID. Elevated blood levels may be associated with problems of GLUTAMINE or GLUTATHIONE metabolism.. 5-oxo-L-proline : An optically active form of 5-oxoproline having L-configuration. | 2 | 1 | 0 | 5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid | algal metabolite |
| acetophenone acetophenone : A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group. | 3.45 | 7 | 0 | acetophenones | animal metabolite; photosensitizing agent; xenobiotic |
| benzoyl chloride benzoyl chloride: potential carcinogens in manufacturing process. benzoyl chloride : An acyl chloride consisting of benzene in which a hydrogen is replaced by an acyl chloride group. It is an important chemical intermediate for the manufacture of other chemicals, dyes, perfumes, herbicides and pharmaceuticals. | 2.15 | 1 | 0 | acyl chloride; benzenes | carcinogenic agent |
| nitrobenzene nitrobenzene : A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline. | 2.06 | 1 | 0 | nitroarene; nitrobenzenes | |
| trehalose alpha,alpha-trehalose : A trehalose in which both glucose residues have alpha-configuration at the anomeric carbon. | 2.87 | 3 | 0 | trehalose | Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| methyl gallate methyl gallate: has both immunosuppressive and phytogenic antineoplastic activities; isolated from Acer saccharinum. methyl 3,4,5-trihydroxybenzoate : A gallate ester obtained by the formal condensation of gallic acid with methanol. It exhibits anti-oxidant, anti-tumor, anti-microbial and anti-inflammatory properties. | 2.01 | 1 | 0 | gallate ester | anti-inflammatory agent; antioxidant; plant metabolite |
| carvone carvone: an oxidized derivative of limonene; RN given refers to cpd without isomeric designation; L-carvone has spearmint flavor, D-carvone has dill/caraway flavor. carvone : A p-menthane monoterpenoid that consists of cyclohex-2-enone having methyl and isopropenyl substituents at positions 2 and 5, respectively. | 2.75 | 3 | 0 | botanical anti-fungal agent; carvones | allergen |
| 1,2-dichloro-4-nitrobenzene [no description available] | 2 | 1 | 0 | ||
| alpha phellandrene alpha phellandrene: can be irritating to, & absorbed by the skin; ingestion can cause vomiting, diarrhea; RN given refers to cpd without isomeric designation; structure. alpha-phellandrene : One of a pair of phellandrene cyclic monoterpene double-bond isomers in which both double bonds are endocyclic (cf. alpha-phellandrene, where one of them is exocyclic). | 3.34 | 6 | 0 | cyclohexadiene; phellandrene | antimicrobial agent; plant metabolite; volatile oil component |
| gamma-terpinene gamma-terpinene: RN given refers to gamma-terpinene; structure. gamma-terpinene : One of three isomeric monoterpenes differing in the positions of their two double bonds (alpha- and beta-terpinene being the others). In gamma-terpinene the double bonds are at the 1- and 4-positions of the p-menthane skeleton. | 3.91 | 11 | 0 | cyclohexadiene; monoterpene | antioxidant; human xenobiotic metabolite; plant metabolite; volatile oil component |
| 4-cymene 4-cymene: structure. p-cymene : A monoterpene that is toluene substituted by an isopropyl group at position 4. | 3.69 | 9 | 0 | monoterpene; toluenes | human urinary metabolite; plant metabolite; volatile oil component |
| 4-isopropylphenol [no description available] | 1.96 | 1 | 0 | phenols | flavouring agent |
| n-methyl-4-nitroaniline N-methyl-4-nitroaniline: structure in first source | 2.07 | 1 | 0 | ||
| terephthalic acid terephthalic acid: RN given refers to 1,4-benzenedicarboxylic acid. terephthalic acid : A benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids. | 4.73 | 21 | 0 | benzenedicarboxylic acid | |
| benzyl bromide benzyl bromide: structure given in first source. benzyl bromide : A member of the class of benzyl bromides that is toluene substituted on the alpha-carbon with bromine. | 2.81 | 3 | 0 | benzyl bromides | lachrymator |
| ethylbenzene [no description available] | 2.72 | 3 | 0 | alkylbenzene | |
| 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. | 5.44 | 58 | 0 | styrenes; vinylarene; volatile organic compound | mouse metabolite; mutagen; plant metabolite |
| benzyl chloride benzyl chloride: RN given refers to unlabeled cpd. chlorophenylmethane : A chlorohydrocarbon that is phenylmethane substituted by a chloro group at unspecified position.. benzyl chloride : A member of the class of benzyl chlorides that is toluene substituted on the alpha-carbon with chlorine. | 2.46 | 2 | 0 | benzyl chlorides | |
| benzylamine aminotoluene : Any member of the class of toluenes carrying one or more amino groups. | 2.4 | 2 | 0 | aralkylamine; primary amine | allergen; EC 3.5.5.1 (nitrilase) inhibitor; plant metabolite |
| benzonitrile benzonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group. | 2.78 | 3 | 0 | benzenes; nitrile | |
| methylaniline methylaniline: RN given refers to parent cpd. methylaniline : A substituted aniline carrying one or more methyl groups at unspecified positions. | 2.1 | 1 | 0 | methylaniline; phenylalkylamine; secondary amine | |
| phenylhydrazine [no description available] | 2.69 | 3 | 0 | phenylhydrazines | xenobiotic |
| anisole anisole : A monomethoxybenzene that is benzene substituted by a methoxy group. | 2.04 | 1 | 0 | monomethoxybenzene | plant metabolite |
| 2-vinylpyridine [no description available] | 1.92 | 1 | 0 | ||
| quinuclidines Quinuclidines: A class of organic compounds which contain two rings that share a pair of bridgehead carbon atoms and contains an amine group. | 2.74 | 3 | 0 | quinuclidines; saturated organic heterobicyclic parent | |
| 2,2-dimethyl-1,3-dioxolane-4-methanol 2,2-dimethyl-1,3-dioxolane-4-methanol: RN given refers to parent cpd; structure | 3.31 | 6 | 0 | ||
| n-phenylformamide formanilide : A member of the class of formamides that is formamide in which one of the amino hydrogens is replaced by a phenyl group. | 2.03 | 1 | 0 | aromatic amide; formamides | |
| 1-phenyl-2-propanone 1-phenyl-2-propanone: analog of propiophenone where carbonyl group is on the 2 carbon atom instead of the 1 carbon atom of the side chain. phenylacetone : A propanone that is propan-2-one substituted by a phenyl group at position 1. | 3.05 | 1 | 0 | methyl ketone; propanones | |
| n-butylbenzene butylbenzene : An alkylbenzene that is benzene substituted by a butyl group at position 1. | 2.02 | 1 | 0 | alkylbenzene | |
| 4-anisidine 4-anisidine: RN given refers to parent cpd. p-anisidine : A substituted aniline that is aniline in which the hydrogen para to the amino group has been replaced by a methoxy group. It is used as a reagent for the detection of oxidation products such as aldehydes and ketones in fats and oils. | 2.01 | 1 | 0 | methoxybenzenes; primary amino compound; substituted aniline | genotoxin; reagent |
| 1,4-cyclohexanedimethanol 1,4-cyclohexanedimethanol: used as a monomer in the production of polyester resins; RN given refers to cpd with specified locants for dimethanol groups | 2.17 | 1 | 0 | ||
| ethyl cyanoacetate ethyl cyanoacetate: affect muscarinic and nicotinic receptors; RN given refers to unlabeled parent cpd | 2.1 | 1 | 0 | ||
| ethyl carbonate [no description available] | 2.02 | 1 | 0 | carbonate 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. | 2.47 | 2 | 0 | caprolactams | human blood serum metabolite |
| citronellal citronellal: aldehyde of citronellol; found in citronella oil. citronellal : A monoterpenoid, the main component of citronella oil which gives it its distinctive lemon aroma. | 2.75 | 3 | 0 | aldehyde; monoterpenoid | antifungal agent; metabolite |
| ethyl caprylate ethyl octanoate : A fatty acid ethyl ester resulting from the formal condensation of octanoic acid with ethanol. | 2.21 | 1 | 0 | fatty acid ethyl ester; octanoate ester | metabolite |
| 4-xylene p-xylene : A xylene with methyl groups at positions 1 and 4. | 3.2 | 5 | 0 | xylene | |
| 4-toluidine 4-toluidine: RN given refers to parent cpd. p-toluidine : An aminotoluene in which the amino substituent is para to the methyl group. | 2.1 | 1 | 0 | aminotoluene | |
| 4-vinyl-1-cyclohexene dioxide 4-vinyl-1-cyclohexene dioxide: activates caspase cascades; structure. 4-vinylcyclohexene dioxide : The diepoxide of 4-vinylcyclohexene. | 1.95 | 1 | 0 | epoxide | carcinogenic agent |
| 1,2-epoxybutane 1,2-epoxybutane: RN given refers to cpd with unspecified isomeric designation | 2.52 | 2 | 0 | epoxide | |
| epichlorohydrin Epichlorohydrin: A chlorinated epoxy compound used as an industrial solvent. It is a strong skin irritant and carcinogen.. epichlorohydrin : An epoxide that is 1,2-epoxypropene in which one of the methyl hydrogens is substituted by chlorine. | 2.03 | 1 | 0 | epoxide; organochlorine compound | |
| glycidyl methacrylate glycidyl methacrylate: RN given refers to monomer. glycidyl methacrylate : An enoate ester obtained by formal condensation of the carboxy group of methacrylic acid with the hydroxy group of glycidol. | 2.08 | 1 | 0 | enoate ester; epoxide | |
| ethylene dibromide Ethylene Dibromide: An effective soil fumigant, insecticide, and nematocide. In humans, it causes severe burning of skin and irritation of the eyes and respiratory tract. Prolonged inhalation may cause liver necrosis. It is also used in gasoline. Members of this group have caused liver and lung cancers in rodents. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), 1,2-dibromoethane may reasonably be anticipated to be a carcinogen.. 1,2-dibromoethane : A bromoalkane that is ethane carrying bromo substituents at positions 1 and 2. It is produced by marine algae. | 3.05 | 1 | 0 | bromoalkane; bromohydrocarbon | algal metabolite; carcinogenic agent; fumigant; marine metabolite; mouse metabolite; mutagen |
| allyl bromide [no description available] | 2.48 | 2 | 0 | ||
| propargyl bromide propargyl bromide: structure in first source | 2.5 | 2 | 0 | ||
| butane butane : A straight chain alkane composed of 4 carbon atoms. | 5.09 | 13 | 0 | alkane; gas molecular entity | food propellant; refrigerant |
| 1-butene but-1-ene : A butene with unsaturation at position 1. | 4.78 | 31 | 0 | butene | |
| 1,3-butadiene buta-1,3-diene : A butadiene with unsaturation at positions 1 and 3. | 6.73 | 31 | 0 | butadiene | carcinogenic agent; mutagen |
| acrolein [no description available] | 5.27 | 16 | 0 | enal | herbicide; human xenobiotic metabolite; toxin |
| allyl chloride [no description available] | 2.44 | 2 | 0 | organochlorine compound | |
| allylamine Allylamine: Possesses an unusual and selective cytotoxicity for VASCULAR SMOOTH MUSCLE cells in dogs and rats. Useful for experiments dealing with arterial injury, myocardial fibrosis or cardiac decompensation. | 3.86 | 11 | 0 | alkylamine | |
| acrylonitrile [no description available] | 2.77 | 3 | 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. | 12.42 | 60 | 0 | primary allylic alcohol; propenol | antibacterial agent; fungicide; herbicide; insecticide; plant metabolite |
| propargyl alcohol propargyl alcohol: irreversibly inactivates alcohol oxidase; RN given refers to parent cpd. prop-2-yn-1-ol : A terminal acetylenic compound that is prop-2-yne substituted by a hydroxy group at position 1. | 4.44 | 21 | 0 | propynol; terminal acetylenic compound; volatile organic compound | antifungal agent; Saccharomyces cerevisiae metabolite |
| glyoxal [no description available] | 2.44 | 2 | 0 | dialdehyde | agrochemical; allergen; pesticide; plant growth regulator |
| methyl formate methyl formate: RN given refers to parent cpd. methyl formate : A formate ester resulting from the formal condensation of formic acid with methanol. A low-boiling (31.5 degreeC) colourless, flammable liquid, it has been used as a fumigant and larvicide for tobacco and food crops. | 2.72 | 3 | 0 | formate ester; methyl ester; volatile organic compound | fumigant; insecticide; polar aprotic solvent; refrigerant |
| diisobutylene 2,4,4-trimethylpentene: a hazardous substance | 4.33 | 17 | 0 | ||
| sarin Sarin: An organophosphorus ester compound that produces potent and irreversible inhibition of cholinesterase. It is toxic to the nervous system and is a chemical warfare agent.. isopropyl methylphosphonofluoridate : A phosphinic ester that is the isopropyl ester of methylphosphonofluoridic acid.. sarin : A racemate composed of equal amounts of (R)- and (S)-sarin. A potent and irreversible inhibitor of acetylcholinesterase that is toxic to the nervous system and is employed as a chemical warfare agent. | 2.07 | 1 | 0 | fluorine molecular entity; phosphinic ester | |
| 2-methylpentane Hexanes: Six-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives. Various polyneuropathies are caused by hexane poisoning. | 5.73 | 15 | 0 | alkane | |
| isoamylamine isoamylamine: RN given refers to parent cpd. isopentylamine : A primary aliphatic amine that is butan-1-amine carrying a methyl substituent at position 3. | 2.01 | 1 | 0 | primary aliphatic amine | bacterial metabolite; plant metabolite |
| 1,3-butylene glycol 1,3-butylene glycol: RN given refers to cpd without isomeric designation. butane-1,3-diol : A butanediol compound having two hydroxy groups in the 1- and 3-positions. | 2.63 | 3 | 0 | butanediol; glycol | |
| 3-hydroxybutanal [no description available] | 4.21 | 16 | 0 | ||
| vinyl acetate [no description available] | 3.86 | 3 | 0 | acetate ester | |
| diisopropylamine diisopropylamine: structure given in first source | 2.59 | 2 | 0 | ||
| acetic anhydride acetic anhydride: RN given refers to unlabeled cpd; structure. acetic anhydride : An acyclic carboxylic anhydride derived from acetic acid. | 7.71 | 3 | 0 | acyclic carboxylic anhydride | metabolite; reagent |
| gamma-valerolactone gamma-valerolactone: metabolite of n-hexane; RN given refers to cpd with methyl moiety in position 5. gamma-valerolactone : A butan-4-olide that is dihydrofuran-2(3H)-one substituted by a methyl group at position 5. It has been found in the urine samples of humans exposed to n-hexane. | 2.25 | 1 | 0 | butan-4-olide | flavouring agent; human xenobiotic metabolite |
| maleic anhydride Maleic Anhydrides: Used in copolymerization reactions, in the Diels-Alder(diene)synthesis, in the preparation of resins, pharmaceuticals and agricultural chemicals. It is a powerful irritant and causes burns.. maleic anhydride : A cyclic dicarboxylic anhydride that is the cyclic anhydride of maleic acid. | 4.03 | 13 | 0 | cyclic dicarboxylic anhydride; furans | allergen |
| propylene carbonate 4-methyl-1,3-dioxolan-2-one: structure in first source | 2.97 | 4 | 0 | ||
| 3-xylene m-xylene : A xylene carrying methyl groups at positions 1 and 3. | 2.03 | 1 | 0 | xylene | |
| 2,6-lutidine 2,6-dimethylpyridine : A member of the class of methylpyridines that is pyridine carrying methyl substituents at positions 2 and 6. | 2.45 | 2 | 0 | methylpyridines | |
| gamma-collidine gamma-collidine: structure | 1.92 | 1 | 0 | methylpyridines | |
| bromobenzene [no description available] | 2.48 | 2 | 0 | bromoarene; bromobenzenes; volatile organic compound | hepatotoxic agent; mouse metabolite; non-polar solvent |
| chlorobenzene [no description available] | 2.11 | 1 | 0 | monochlorobenzenes | solvent |
| cyclohexanol Cyclohexanols: Monohydroxy derivatives of cyclohexanes that contain the general formula R-C6H11O. They have a camphorlike odor and are used in making soaps, insecticides, germicides, dry cleaning, and plasticizers.. cyclohexanols : An alcohol in which one or more hydroxy groups are attached to a cyclohexane skeleton. | 4.09 | 15 | 0 | cyclohexanols; secondary alcohol | solvent |
| cyclohexanone [no description available] | 8.12 | 5 | 0 | cyclohexanones | human xenobiotic metabolite |
| thiophenol thiophenol : A thiol in which the sulfanyl group is attached to a phenyl group. | 3.53 | 8 | 0 | aryl thiol | |
| triethylene glycol dimethacrylate [no description available] | 2.43 | 2 | 0 | ||
| n-butyl n-butyrate n-butyl n-butyrate: structure. butyl butanoate : A butanoate ester of butan-1-ol. | 2.13 | 1 | 0 | butyrate ester | metabolite |
| 3-dimethylaminopropylamine 3-dimethylaminopropylamine: RN given refers to parent cpd; structure | 2.17 | 1 | 0 | ||
| boron trifluoride etherate [no description available] | 2.46 | 2 | 0 | ||
| pentane Pentanes: Five-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. pentane : A straight chain alkane consisting of 5 carbon atoms. | 4.66 | 26 | 0 | alkane; volatile organic compound | non-polar solvent; refrigerant |
| 1-pentene 1-pentene: structure in first source | 3.67 | 9 | 0 | ||
| allyl cyanide TL 350: structure given in first source. allyl cyanide : An aliphatic nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an allyl group. | 2.06 | 1 | 0 | aliphatic nitrile; olefinic compound | antifeedant; neurotoxin; plant metabolite |
| dicyanmethane malononitrile : A dinitrile that is methane substituted by two cyano groups. | 3.82 | 10 | 0 | aliphatic nitrile; dinitrile | |
| dimethoxymethane dimethoxymethane : An acetal that is the dimethyl acetal derivative of formaldehyde. | 2.11 | 1 | 0 | acetal; diether | |
| diethylamine [no description available] | 2.49 | 2 | 0 | secondary aliphatic amine | |
| ethyl vinyl ether ethyl vinyl ether: structure | 2.03 | 1 | 0 | ||
| vinyl ether vinyl ether: major descriptor (65-85); on-line search VINYL COMPOUNDS (66-85); Index Medicus search VINYL ETHER (65-85) | 8.43 | 7 | 0 | ether | |
| 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. | 7.52 | 94 | 0 | pyrrole; secondary amine | |
| tetrahydrofuran oxolane : A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen. | 10.31 | 16 | 0 | cyclic ether; oxolanes; saturated organic heteromonocyclic parent; volatile organic compound | polar aprotic solvent |
| 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. | 8.95 | 12 | 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. | 4.59 | 25 | 0 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
| n,n,n',n'-tetramethylethylenediamine N,N,N',N'-tetramethylethylenediamine: RN given refers to parent cpd; structure. N,N,N',N'-tetramethylethylenediamine : An ethylenediamine derivative in which each nitrogen carries two methyl substituents. It is widely employed both as a ligand for metal ions and as a catalyst in organic polymerisation. | 2.25 | 1 | 0 | ethylenediamine derivative | catalyst; chelator |
| ethyl decanoate ethyl decanoate : A fatty acid ethyl ester of decanoic acid. | 2.21 | 1 | 0 | decanoate ester; fatty acid ethyl ester | metabolite |
| n-hexane hexane : An unbranched alkane containing six carbon atoms. | 4.42 | 6 | 0 | alkane; volatile organic compound | neurotoxin; non-polar solvent |
| pentanal pentanal : A saturated fatty aldehyde composed from five carbons in a straight chain. | 2.1 | 1 | 0 | saturated fatty aldehyde | plant metabolite |
| 1,4-butanediol butane-1,4-diol : A butanediol that is butane in which one hydrogen of each of the methyl groups is substituted by a hydroxy group. A colourless, water-miscible, viscous liquid at room temperature (m.p. 16degreeC) with a high boiling point (230degreeC), it is mainly used for the production of other organic chemicals, particularly the solvent oxolane (also known as tetrahydrofuran or THF). | 2.44 | 2 | 0 | butanediol; glycol | neurotoxin; prodrug; protic solvent |
| cyclohexane Cyclohexane: C6H12. cyclohexane : An alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon. | 3.68 | 9 | 0 | cycloalkane; volatile organic compound | non-polar solvent |
| cyclohexene cyclohexene : A cycloalkene that is cylohexane with a single double bond. | 5.44 | 19 | 0 | cycloalkene | |
| s-trioxane s-trioxane: a 6-membered ring composed of 3 carbons and 3 oxygens. 1,3,5-trioxane : A saturated organic heteromonocyclic parent that is cyclohexane in which the carbon atoms at positions 1, 3 and 5 are replaced by oxygen atoms. | 2.02 | 1 | 0 | saturated organic heteromonocyclic parent; trioxane | |
| piperidine [no description available] | 4.96 | 11 | 0 | azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine | base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent |
| morpholine [no description available] | 2.96 | 4 | 0 | morpholines; saturated organic heteromonocyclic parent | NMR chemical shift reference compound |
| squalane [no description available] | 2.42 | 2 | 0 | ||
| 1-hexanol 1-hexanol: RN given refers to parent cpd. hexanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of six carbon atoms.. hexan-1-ol : A primary alcohol that is hexane substituted by a hydroxy group at position 1. | 3.27 | 6 | 0 | hexanol; primary alcohol | alarm pheromone; antibacterial agent; fragrance; plant metabolite |
| n-butyl vinyl ether vinilin: RN given refers to cpd with unknown MF; no further information available 10/91 | 2.43 | 2 | 0 | ||
| diethylenetriamine diethylenetriamine: RN given refers to parent cpd | 2.05 | 1 | 0 | polyazaalkane; triamine | |
| diethanolamine diethanolamine: RN given refers to parent cpd. diethanolamine : A member of the class of ethanolamines that is ethanolamine having a N-hydroxyethyl substituent. | 3.12 | 1 | 0 | ethanolamines | human xenobiotic metabolite |
| diethylene glycol glycol ether : A hydroxyether which contains both an ether and alcohol functional groups. It is one of the most versatile classes of organic solvents which are commonly used in paints, cleaners, adhesives, pharmaceuticals and cosmetics. | 2.45 | 2 | 0 | hydroxyether | |
| ethyl stearate stearic acid ethyl ester: structure in first source. ethyl octadecanoate : An octadecanoate ester obtained by formal condensation between the carboxy group of octadecanoic (stearic) acid and the hydroxy group of ethanol. | 2.1 | 1 | 0 | long-chain fatty acid ethyl ester; octadecanoate ester | plant metabolite |
| 1-octene 1-octene: RN given refers to parent cpd. 1-octene : An octene with an unsaturation C-1. | 6.91 | 36 | 0 | octene | |
| adiponitrile [no description available] | 2.41 | 1 | 0 | ||
| heptanal heptanal : An n-alkanal resulting from the oxidation of the alcoholic hydroxy group of heptan-1-ol to the corresponding aldehyde. An endogenous aldehyde coming from membrane lipid oxidation, it is found in the blood of lung cancer patients and has been regarded as a potential biomarker of lung cancer. | 3.05 | 4 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | biomarker |
| n-butoxyethanol n-butoxyethanol: RN given refers to parent cpd; structure. 2-butoxyethanol : A primary alcohol that is ethanol in which one of the methyl hydrogens is replaced by a butoxy group. A high-boiling (171degreeC) colourless liquid, it is used as a solvent for paints and inks, as well as in some dry cleaning solutions. | 3.12 | 1 | 0 | glycol ether; primary alcohol | protic solvent |
| nonane iotrochotin: toxin from the Caribbean sponge Iotrochota birotulata, which selectively permeabilizes synaptosomes. nonane : A straight chain alkane composed of 9 carbon atoms. | 8.44 | 7 | 0 | alkane | plant metabolite; volatile oil component |
| bis(2-chloroethoxy)methane bis(2-chloroethoxy)methane: a solvent used in polysulfide elastomer production; structure in first source | 3.12 | 1 | 0 | ||
| diglyme diglyme : A polyether that is the dimethyl ether derivative of diethylene glycol. | 2.05 | 1 | 0 | polyether | environmental contaminant; solvent; xenobiotic |
| dodecyltrimethylammonium dodecyltrimethylammonium: used to determine thermal stability of DNA; RN given refers to parent cpd. dodecyltrimethylammonium ion : A quarternary ammonium cation having one dodecyl and three methyl substituents around the central nitrogen. | 2.17 | 1 | 0 | quaternary ammonium ion | |
| pelargonic acid pelargonic acid: K salt acts as cariostatic agent; RN given refers to parent cpd; structure. nonanoic acid : A C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers. | 2.02 | 1 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; antifeedant; Daphnia magna metabolite; plant metabolite |
| undecan-2-one undecan-2-one: Insect Repellents; 2-undecanone is the active ingredient of arthropod repellent BioUD; an efficacious alternative to deet. undecan-2-one : A dialkyl ketone with methyl and nonyl as the two alkyl groups. | 2.54 | 2 | 0 | dialkyl ketone; methyl ketone | plant metabolite; rodenticide |
| triethylene glycol triethylene glycol : A poly(ethylene glycol) that is octane-1,8-diol in which the carbon atoms at positions 3 and 6 have been replaced by oxygen atoms. | 2.62 | 3 | 0 | diol; poly(ethylene glycol); primary alcohol | plasticiser |
| n-decyl alcohol n-decyl alcohol: RN given refers to parent cpd. decanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of ten carbon atoms.. decan-1-ol : A fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of ten carbon atoms. | 2.15 | 1 | 0 | decanol; primary alcohol | metabolite; pheromone; protic solvent |
| decanaldehyde decanal : A saturated fatty aldehyde formally arising from reduction of the carboxy group of capric acid (decanoic acid). | 3.03 | 4 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | antifungal agent; fragrance; plant metabolite |
| n-dodecane dodecane : A straight-chain alkane with 12 carbon atoms. It has been isolated from the essential oils of various plants including Zingiber officinale (ginger). | 3.02 | 4 | 0 | alkane | plant metabolite |
| dodecanol Dodecanol: A saturated 12-carbon fatty alcohol obtained from coconut oil fatty acids. It has a floral odor and is used in detergents, lubricating oils, and pharmaceuticals. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). dodecanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of twelve carbon atoms.. dodecan-1-ol : A primary alcohol that is dodecane in which a hydrogen from one of the methyl groups is replaced by a hydroxy group. It is registered for use in apple and pear orchards as a Lepidopteran pheromone/sex attractant, used to disrupt the mating behaviour of certain moths whose larvae destroy crops. | 2.47 | 2 | 0 | dodecanol; primary alcohol | bacterial metabolite; cosmetic; insect attractant; insecticide; pheromone; plant metabolite |
| tetraethylenepentamine [no description available] | 2.11 | 1 | 0 | polyazaalkane | copper chelator |
| lauryl acetate [no description available] | 2.05 | 1 | 0 | carboxylic ester | |
| 1-octadecene octadec-1-ene : An octadecene with unsaturation at C-1.. octadecene : An alkene that is octadecane containing one double bond at unspecified position. | 4.46 | 21 | 0 | octadecene | |
| eicosane icosane : A straight chain alkane composed of 20 carbon atoms. It has been isolated from the leaves of Agave attenuata. | 2.13 | 1 | 0 | long-chain alkane | plant metabolite |
| ergotamine Ergotamine: A vasoconstrictor found in ergot of Central Europe. It is a serotonin agonist that has been used as an oxytocic agent and in the treatment of MIGRAINE DISORDERS.. ergotamine : A peptide ergot alkaloid that is dihydroergotamine in which a double bond replaces the single bond between positions 9 and 10. | 3.34 | 1 | 1 | peptide ergot alkaloid | alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent |
| obidoxime chloride Obidoxime Chloride: Cholinesterase reactivator occurring in two interchangeable isomeric forms, syn and anti. | 2.1 | 1 | 0 | ||
| propylene propylene: structure | 19.19 | 481 | 2 | alkene; gas molecular entity | refrigerant; xenobiotic |
| dimethyl ether dimethyl ether : An ether in which the oxygen atom is connected to two methyl groups. | 3.18 | 5 | 0 | ether | |
| isobutylene 2-methylprop-1-ene : An alkene that is prop-1-ene substituted by a methyl group at position 2. | 7.41 | 63 | 0 | alkene; gas molecular entity | |
| mephobarbital Mephobarbital: A barbiturate that is metabolized to PHENOBARBITAL. It has been used for similar purposes, especially in EPILEPSY, but there is no evidence mephobarbital offers any advantage over PHENOBARBITAL.. mephobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by ethyl and phenyl groups. | 1.94 | 1 | 0 | barbiturates | anticonvulsant |
| triphenyl phosphate triphenyl phosphate: structure. triphenyl phosphate : An aryl phosphate resulting from the formal condensation of phosphoric acid with 3 mol eq. of phenol. | 2.08 | 1 | 0 | aryl phosphate | flame retardant; plasticiser |
| linalyl acetate linalyl acetate: structure in first source; RN refers to cpd without isomeric designation. linalyl acetate : A racemate comprising equimolar amounts of (R)- and (S)-linalyl acetate. It forms a principal component of the essential oils from bergamot and lavender.. 3,7-dimethylocta-1,6-dien-3-yl acetate : A monoterpenoid that is the acetate ester of linalool. It forms a principal component of the essential oils from bergamot and lavender. | 2.99 | 4 | 0 | acetate ester; monoterpenoid | |
| acetol hydroxyacetone : A propanone that is acetone in which one of the methyl hydrogens is replaced by a hydroxy group. | 2.06 | 1 | 0 | methyl ketone; primary alcohol; primary alpha-hydroxy ketone; propanones | Escherichia coli metabolite; human metabolite; mouse metabolite |
| tetrafluoroethylene tetrafluoroethylene: RN given refers to parent cpd; structure | 2.07 | 1 | 0 | fluorocarbon | |
| hexafluoropropene [no description available] | 2.04 | 1 | 0 | ||
| diethylhexyl phthalate Diethylhexyl Phthalate: An ester of phthalic acid. It appears as a light-colored, odorless liquid and is used as a plasticizer for many resins and elastomers.. bis(2-ethylhexyl) phthalate : A phthalate ester that is the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid. | 2.38 | 2 | 0 | diester; phthalate ester | androstane receptor agonist; apoptosis inhibitor; plasticiser |
| chloranil Chloranil: A quinone fungicide used for treatment of seeds and foliage.. tetrachloro-1,4-benzoquinone : A member of the class of 1,4-benzoquiones that is 1,4-benzoquinone in which all four hydrogens are substituted by chlorines. | 2.04 | 1 | 0 | 1,4-benzoquinones; organochlorine compound | EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite |
| benzoin [no description available] | 3.48 | 2 | 0 | benzoins; secondary alpha-hydroxy ketone | EC 3.1.1.1 (carboxylesterase) inhibitor |
| tetralin tetralin: structure given in first source. tetralin : An ortho-fused bicyclic hydrocarbon that is 1,2,3,4-tetrahydro derivative of naphthalene. | 2.02 | 1 | 0 | ortho-fused bicyclic hydrocarbon; tetralins | |
| isoquinoline [no description available] | 8.16 | 5 | 0 | azaarene; isoquinolines; mancude organic heterobicyclic parent; ortho-fused heteroarene | |
| dianisidine Dianisidine: Highly toxic compound which can cause skin irritation and sensitization. It is used in manufacture of azo dyes. | 3.12 | 1 | 0 | biphenyls | |
| anthracene acene : A polycyclic aromatic hydrocarbon consisting of fused benzene rings in a rectilinear arrangement.. acenes : Polycyclic aromatic hydrocarbons consisting of fused benzene rings in a rectilinear arrangement and their substitution derivatives. | 2.44 | 2 | 0 | acene; anthracenes; ortho-fused tricyclic hydrocarbon | |
| veratraldehyde [no description available] | 2.17 | 1 | 0 | benzaldehydes; dimethoxybenzene | antifungal agent |
| piperonal piperonal: has been used as a pediculicide; structure. piperonal : An arenecarbaldehyde that is 1,3-benzodioxole substituted by a formyl substituent at position 5. It has been isolated from Piper nigrum. | 2 | 1 | 0 | arenecarbaldehyde; benzodioxoles | fragrance; insect repellent; plant metabolite |
| sulfoxide sulfoxide: synergistic insecticide for use with pyrethrum, allethrin, rotenone, ryania, etc.; RN given refers to parent cpd; structure. sulfoxide : An organosulfur compound having the structure R2S=O or R2C=S=O (R =/= H). | 4.41 | 6 | 0 | benzodioxoles | |
| cyclopentanone [no description available] | 2.99 | 4 | 0 | cyclopentanones | Maillard reaction product |
| ethylene urea ethylene urea: used in manufacture of polymers, finishing agents for textiles & leather, in formulation of plasticizers, lacquers & adhesives; structure. imidazolidinone : An imidazolidine containing one or more oxo groups. | 2.06 | 1 | 0 | imidazolidinone; ureas | |
| triethylamine [no description available] | 8.03 | 4 | 0 | tertiary amine | |
| trimethyl phosphite trimethyl phosphite: structure. trimethyl phosphite : An organophosphorus compound that is phosphane in which the three hydrogens are replaced by methoxy groups. It is an alkylating agent used primarily in the synthesis of organophosphate compounds. | 7.01 | 1 | 0 | organophosphorus compound | alkylating agent |
| 2,5-norbornadiene [no description available] | 2.05 | 1 | 0 | ||
| 1,4-naphthoquinone naphthoquinone : A polycyclic aromatic ketone metabolite of naphthalene.. 1,4-naphthoquinone : The parent structure of the family of 1,4-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 4 of the naphthalene ring. Derivatives have pharmacological properties. | 8 | 4 | 0 | 1,4-naphthoquinones | |
| 1-naphthylamine 1-Naphthylamine: A suspected industrial carcinogen (and listed as such by OSHA). Its N-hydroxy metabolite is strongly carcinogenic and mutagenic.. naphthylamine : A primary arylamine that is naphthalene substituted by an amino group at unspecified position.. 1-naphthylamine : A naphthylamine that is naphthalene substituted by an amino group at position 1. | 2.01 | 1 | 0 | naphthylamine | human xenobiotic metabolite |
| benzil benzil: structure. benzil : An alpha-diketone that is ethane-1,2-dione substituted by phenyl groups at positions 1 and 2 respectively. | 2.41 | 1 | 0 | alpha-diketone; aromatic ketone | |
| syringaldehyde syringaldehyde: isolated from nonfermented fiber fractions of oat hulls and cottonseed hulls. syringaldehyde : A hydroxybenzaldehyde that is 4-hydroxybenzaldehyde substituted by methoxy groups at positions 3 and 5. Isolated from Pisonia aculeata and Panax japonicus var. major, it exhibits hypoglycemic activity. | 2.11 | 1 | 0 | dimethoxybenzene; hydroxybenzaldehyde | hypoglycemic agent; plant metabolite |
| 2-naphthol 2-naphthol: RN given refers to parent cpd. 2-naphthol : A naphthol carrying a hydroxy group at position 2.. naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent. | 6.38 | 29 | 0 | naphthol | antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger |
| 1,3-diphenyl-1-triazene 1,3-diphenyl-1-triazene: structure in first source | 3.12 | 1 | 0 | ||
| shikimic acid Shikimic Acid: A tri-hydroxy cyclohexene carboxylic acid important in biosynthesis of so many compounds that the shikimate pathway is named after it.. shikimic acid : A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid substituted by hydroxy groups at positions 3, 4 and 5 (the 3R,4S,5R stereoisomer). It is an intermediate metabolite in plants and microorganisms. | 2.07 | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
| nitrilotriacetic acid Nitrilotriacetic Acid: A derivative of acetic acid, N(CH2COOH)3. It is a complexing (sequestering) agent that forms stable complexes with Zn2+. (From Miall's Dictionary of Chemistry, 5th ed.) | 2.03 | 1 | 0 | NTA; tricarboxylic acid | carcinogenic agent; nephrotoxic agent |
| protocatechualdehyde protocatechualdehyde: found in wheat grains, wheat seedlings, & other plants; RN given refers to parent cpd; see also rancinamycins; structure | 2.54 | 2 | 0 | dihydroxybenzaldehyde | |
| benzyl cyanide benzyl cyanide: reversible monoamine oxidase inhibitor | 2.06 | 1 | 0 | benzenes; nitrile | animal metabolite; pheromone |
| estragole estragole : A phenylpropanoid that is chavicol in which the hydroxy group is replaced by a methoxy group. | 2.52 | 2 | 0 | alkenylbenzene; monomethoxybenzene; phenylpropanoid | carcinogenic agent; flavouring agent; genotoxin; insect attractant; plant metabolite |
| ethyl acrylate [no description available] | 3.29 | 6 | 0 | enoate ester | |
| citronellol citronellol: alcohol form of citronellal; found in rose oil; RN given refers to parent cpd without isomeric designation; structure. citronellol : A monoterpenoid that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7.. insect repellent : An insecticide that acts as a repellent to insects. | 2.93 | 4 | 0 | monoterpenoid | plant metabolite |
| 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. | 2.98 | 4 | 0 | acrylate ester | |
| ethyl acetate ethyl acetate : The acetate ester formed between acetic acid and ethanol. | 3.51 | 7 | 0 | acetate ester; ethyl ester; volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite |
| 2-hydroxypyridine hydroxypyridine : Any member of the class of pyridines with at least one hydroxy substituent.. pyridin-2-ol : A monohydroxypyridine that is pyridine substituted by a hydroxy group at position 2. | 2.81 | 3 | 0 | monohydroxypyridine | plant metabolite |
| iminodiacetic acid iminodiacetic acid: used as hepatobiliary imaging agent when labeled with Tc; RN given refers to parent cpd; structure. iminodiacetic acid : An amino dicarboxylic acid that is glycine in which one of the hydrogens attached to the nitrogen is substituted by a carboxymethyl group. | 2.03 | 1 | 0 | amino dicarboxylic acid; glycine derivative; non-proteinogenic alpha-amino acid | chelator |
| n-heptane Heptanes: Seven-carbon alkanes with the formula C7H16.. heptane : A straight-chain alkane with seven carbon atoms. It has been found in Jeffrey pine (Pinus jeffreyi). | 4.48 | 7 | 0 | alkane; volatile organic compound | non-polar solvent; plant metabolite |
| tetraglyme [no description available] | 2.05 | 1 | 0 | polyether | |
| tetraphenylborate Tetraphenylborate: An anionic compound that is used as a reagent for determination of potassium, ammonium, rubidium, and cesium ions. It also uncouples oxidative phosphorylation and forms complexes with biological materials, and is used in biological assays. | 2.46 | 2 | 0 | ||
| pregnenolone [no description available] | 1.95 | 1 | 0 | 20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid | human metabolite; mouse metabolite |
| copper phthalocyanine copper phthalocyanine: structure. copper(II) phthalocyanine : A metallophthalocyanine that is copper(2+) forming a coordination complex with phthalocyanine. It is a synthetic blue pigment which is used as a colorant in paints and dyes. | 2.1 | 1 | 0 | ||
| diphenhydramine hydrochloride Antitussive Agents: Agents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally.. diphenhydramine hydrochloride : The hydrochloride salt of diphenhydramine. | 2.34 | 2 | 0 | hydrochloride; organoammonium salt | anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative |
| ditiocarb Ditiocarb: A chelating agent that has been used to mobilize toxic metals from the tissues of humans and experimental animals. It is the main metabolite of DISULFIRAM.. diethyldithiocarbamic acid : A member of the class of dithiocarbamic acids that is diethylcarbamic acid in which both of the oxygens are replaced by sulfur. | 2.69 | 3 | 0 | dithiocarbamic acids | chelator; copper chelator |
| formaldehydesulfoxylate formaldehydesulfoxylate: antidote for mercury poisoning; RN given refers to parent cpd; structure | 2.41 | 1 | 0 | ||
| 1,4-dimethoxybenzene 1,4-dimethoxybenzene: structure given in first source | 2.08 | 1 | 0 | dimethoxybenzene | |
| aziridine [no description available] | 5.52 | 20 | 0 | azacycloalkane; aziridines; saturated organic heteromonocyclic parent | alkylating agent |
| catechin Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.. catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.. rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin. (+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. | 2.08 | 1 | 0 | catechin | antioxidant; plant metabolite |
| thiamine pyrophosphate Thiamine Pyrophosphate: The coenzyme form of Vitamin B1 present in many animal tissues. It is a required intermediate in the PYRUVATE DEHYDROGENASE COMPLEX and the KETOGLUTARATE DEHYDROGENASE COMPLEX.. thiamine(1+) diphosphate chloride : An organic chloride salt of thiamine(1+) diphosphate. | 1.94 | 1 | 0 | organic chloride salt; vitamin B1 | |
| perylene Perylene: A 20-carbon dibenz(de,kl)anthracene that can be viewed as a naphthalene fused to a phenalene or as dinaphthalene. It is used as fluorescent lipid probe in the cytochemistry of membranes and is a polycyclic hydrocarbon pollutant in soil and water. Derivatives may be carcinogenic.. perylene : An ortho- and peri-fused polycyclic arene comprising of five benzene rings that is anthracene in which the d,e and k,l sides are fused to benzene rings. | 2.69 | 2 | 0 | ortho- and peri-fused polycyclic arene; perylenes | |
| fluoranthene fluoranthene: structure. fluoranthene : An ortho- and peri-fused polycyclic arene consisting of a naphthalene and benzene unit connected by a five-membered ring. | 2.04 | 1 | 0 | ortho- and peri-fused polycyclic arene | |
| benzo(b)fluorene benzo(b)fluorene: structure in first source | 2.08 | 1 | 0 | carbotetracyclic compound | |
| quinazolines Quinazolines: A group of aromatic heterocyclic compounds that contain a bicyclic structure with two fused six-membered aromatic rings, a benzene ring and a pyrimidine ring.. quinazoline : A mancude organic heterobicyclic parent that is naphthalene in which the carbon atoms at positions 1 and 3 have been replaced by nitrogen atoms.. quinazolines : Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives. | 7.77 | 3 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines | |
| acridines Acridines: Compounds that include the structure of acridine.. acridine : A polycyclic heteroarene that is anthracene in which one of the central CH groups is replaced by a nitrogen atom. | 3.71 | 9 | 0 | acridines; mancude organic heterotricyclic parent; polycyclic heteroarene | genotoxin |
| dibenzo(1,4)dioxin dibenzo(1,4)dioxin: structure | 2.04 | 1 | 0 | dibenzodioxine; heteranthrene; mancude organic heterotricyclic parent; oxacycle; polycyclic heteroarene | |
| indazoles Indazoles: A group of heterocyclic aromatic organic compounds consisting of the fusion of BENZENE and PYRAZOLES. | 3.36 | 6 | 0 | indazole | |
| benzofuran benzofuran: RN & structure given in first source. 1-benzofuran : A benzofuran consisting of fused benzene and furan rings. It is the parent compound of the class of 1-benzofurans. | 3.17 | 5 | 0 | 1-benzofurans; benzofuran | |
| benzoxazoles 1,3-benzoxazole : A benzoxazole in which the benzene ring is fused to a 1,3-oxazole ring across positions 4 and 5.. benzoxazole : Compounds based on a fused 1,2- or 1,3-oxazole and benzene bicyclic ring skeleton. | 4.45 | 7 | 0 | 1,3-benzoxazoles; mancude organic heterobicyclic parent | |
| 1,3-benzodioxole 1,3-benzodioxole : A benzodioxole consisting of a benzene ring substituted by a the methylenedioxy group. | 2.06 | 1 | 0 | benzodioxole | |
| indolizine [no description available] | 2.75 | 3 | 0 | indolizines; mancude organic heterobicyclic parent | |
| azulene [no description available] | 2.01 | 1 | 0 | azulenes; mancude carbobicyclic parent; ortho-fused bicyclic arene | plant metabolite; volatile oil component |
| 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. | 3.47 | 7 | 0 | bridged compound; diamine; saturated organic heterobicyclic parent; tertiary amino compound | antioxidant; catalyst; reagent |
| adamantane Adamantane: A tricyclo bridged hydrocarbon. | 3.14 | 5 | 0 | adamantanes; polycyclic alkane | |
| cyclohexene oxide cyclohexene oxide: inhibitor of epoxide hydrase; structure | 2.44 | 2 | 0 | ||
| cyclopentane Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution. | 13.46 | 137 | 0 | cycloalkane; cyclopentanes; volatile organic compound | non-polar solvent |
| isoxazoles Isoxazoles: Azoles with an OXYGEN and a NITROGEN next to each other at the 1,2 positions, in contrast to OXAZOLES that have nitrogens at the 1,3 positions.. isoxazole : A monocyclic heteroarene with a structure consisting of a 5-membered ring containing three carbon atoms and an oxygen and nitrogen atom adjacent to each other. It is the parent of the class of isoxazoles.. isoxazoles : Oxazoles in which the N and O atoms are adjacent. | 6.05 | 36 | 0 | isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
| 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. | 7.36 | 82 | 0 | 1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
| thiazoles [no description available] | 6.16 | 41 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
| 1,2,4-triazole 1,2,4-triazole: RN given refers to 1H-1,2,4-triazole | 2.77 | 3 | 0 | 1,2,4-triazole | |
| pyridazine pyridazine: structure given in first source | 3.15 | 1 | 0 | diazine; pyridazines | |
| pyrimidine pyrimidine : The parent compound of the pyrimidines; a diazine having the two nitrogens at the 1- and 3-positions. | 4.25 | 5 | 0 | diazine; pyrimidines | Daphnia magna metabolite |
| pyrazines Pyrazines: A heterocyclic aromatic organic compound with the chemical formula C4H4N2.. pyrazine : A diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms. | 3.57 | 8 | 0 | diazine; pyrazines | Daphnia magna metabolite |
| cyclooctane [no description available] | 2.03 | 1 | 0 | ||
| calcium gluconate [no description available] | 2.04 | 1 | 0 | calcium salt | nutraceutical |
| ephedrine Ephedrine: A phenethylamine found in EPHEDRA SINICA. PSEUDOEPHEDRINE is an isomer. It is an alpha- and beta-adrenergic agonist that may also enhance release of norepinephrine. It has been used for asthma, heart failure, rhinitis, and urinary incontinence, and for its central nervous system stimulatory effects in the treatment of narcolepsy and depression. It has become less extensively used with the advent of more selective agonists.. (-)-ephedrine : A phenethylamine alkaloid that is 2-phenylethanamine substituted by a methyl group at the amino nitrogen and a methyl and a hydroxy group at position 2 and 1 respectively. | 2.44 | 2 | 0 | phenethylamine alkaloid; phenylethanolamines | bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
| allylisopropylacetamide Allylisopropylacetamide: An allylic compound that acts as a suicide inactivator of CYTOCHROME P450 by covalently binding to its heme moiety or surrounding protein. | 1.95 | 1 | 0 | ||
| allylbenzene [no description available] | 2.99 | 4 | 0 | ||
| hydrazine diamine : Any polyamine that contains two amino groups. | 6.02 | 35 | 0 | azane; hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
| thiocyanate thiocyanate: RN given refers to parent cpd. thiocyanate : A pseudohalide anion obtained by deprotonation of the thiol group of thiocyanic acid. | 2.42 | 2 | 0 | pseudohalide anion; sulfur molecular entity | human metabolite |
| perfluorooctane perfluorooctane: used in the treatment of giant retinal tears with proliferative vitreoretinopathy | 2.17 | 1 | 0 | fluoroalkane; fluorocarbon | |
| paraoxon [no description available] | 2.38 | 2 | 0 | aryl dialkyl phosphate; organophosphate insecticide | EC 3.1.1.7 (acetylcholinesterase) inhibitor; mouse metabolite |
| diazomethane Diazomethane: A diazonium compound with the formula CH2N2.. diazomethane : The simplest diazo compound, in which a diazo group is attached to a methylene group. | 8.73 | 10 | 0 | diazo compound | alkylating agent; antineoplastic agent; carcinogenic agent; poison |
| tetrapropylammonium tetrapropylammonium: more than 12 salts of above cpd in Chemline. tetrapropylammonium : A quarternary ammonium cation with four propyl substituents around the central nitrogen. | 2.31 | 1 | 0 | quaternary ammonium ion | |
| perflexane perfluorohexane : A fluoroalkane that is hexane in which all of the hydrogens have been replaced by fluorines. | 2.01 | 1 | 0 | fluoroalkane; fluorocarbon; volatile organic compound | non-polar solvent; radioopaque medium |
| thymidine monophosphate Thymidine Monophosphate: 5-Thymidylic acid. A thymine nucleotide containing one phosphate group esterified to the deoxyribose moiety.. dTMP : The neutral species of thymidine 5'-monophosphate (2'-deoxythymidine 5'-monophosphate). | 2.17 | 1 | 0 | thymidine 5'-monophosphate | fundamental metabolite |
| 4-fluorophenol 4-fluorophenol: structure given in first source. 4-fluorophenol : A fluorophenol that is phenol in which the hydrogen para- to the hydroxy group has been replaced by a fluorine. | 2.07 | 1 | 0 | fluorophenol; monofluorobenzenes | |
| cyanoacetic acid cyanoacetic acid: RN given refers to parent cpd; structure. cyanoacetic acid : A monocarboxylic acid that consists of acetic acid bearing a cyano substituent. | 2.11 | 1 | 0 | monocarboxylic acid | |
| nickel acetate [no description available] | 2.04 | 1 | 0 | ||
| trifluoroethylamine trifluoroethylamine: RN given refers to cpd with unspecified fluorine locants | 2.05 | 1 | 0 | ||
| hexafluorobenzene [no description available] | 2.04 | 1 | 0 | fluorobenzenes; fluorocarbon | NMR chemical shift reference compound |
| trifluoroacetic anhydride [no description available] | 2.15 | 1 | 0 | ||
| silicon carbide silicon carbide: fibers used for reinforcement of porcelain crowns; a feldspathic body (gingival) porcelain; used to coat titanium hip prostheses | 7.47 | 2 | 0 | organosilicon compound | |
| cyanamide Cyanamide: A cyanide compound which has been used as a fertilizer, defoliant and in many manufacturing processes. It often occurs as the calcium salt, sometimes also referred to as cyanamide. The citrated calcium salt is used in the treatment of alcoholism.. cyanamide : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an amino group. | 7.57 | 2 | 0 | nitrile; one-carbon compound | EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor |
| ethylene sulfide [no description available] | 2.21 | 1 | 0 | organosulfur heterocyclic compound; saturated organic heteromonocyclic parent | |
| fluorometholone Fluorometholone: A glucocorticoid employed, usually as eye drops, in the treatment of allergic and inflammatory conditions of the eye. It has also been used topically in the treatment of various skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p732). fluorometholone : A member of the class of glucocorticoids that is Delta(1)-progesterone substituted at positions 11beta and 17 by hydroxy groups, at position 6alpha by a methyl group and at position 9 by a fluoro group. Used for the treatment of corticosteroid-responsive inflammation of the palpebral and bulbar conjunctiva, cornea and anterior segment of the globe. | 1.94 | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone | anti-inflammatory drug |
| beta-cyclocitral beta-cyclocitral: structure in first source. beta-cyclocitral : A monoterpenoid formally derived from citral by cyclisation. It is a volatile compound produced by a cyanobacteria. | 2.03 | 1 | 0 | monoterpenoid | bacterial metabolite |
| nandrolone Nandrolone: C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of ESTRADIOL to resemble TESTOSTERONE but less one carbon at the 19 position.. nandrolone : A 3-oxo Delta(4)-steroid that is estr-4-en-3-one substituted by a beta-hydroxy group at position 17. | 2.35 | 2 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid | human metabolite |
| 1,2-dihydronaphthalene 1,2-dihydronaphthalene : A dihydronaphthalene hydrogenated at C-1 and C-2. | 2.03 | 1 | 0 | dihydronaphthalene | |
| 2-aminopurine 2-Aminopurine: A purine that is an isomer of ADENINE (6-aminopurine).. aminopurine : Any purine having at least one amino substituent.. 2-aminopurine : The parent compound of the 2-aminopurines, comprising a purine core carrying an amino substituent at the 2-position. | 2.04 | 1 | 0 | 2-aminopurines; nucleobase analogue | antimetabolite |
| dicyandiamido dicyandiamido: RN given refers to parent cpd; structure. cyanoguanidine : A guanidine in which one of the amino hydrogens of guanidine itself is substituted by a cyano group. It is used in the manufacture of fertilizers, pharmaceuticals, explosives, oil well drilling muds, and dyestuffs. | 2.07 | 1 | 0 | guanidines; nitrile | curing agent; explosive; fertilizer; flame retardant; nitrification inhibitor |
| hydantoins Hydantoins: Compounds based on imidazolidine dione. Some derivatives are ANTICONVULSANTS.. imidazolidine-2,4-dione : An imidazolidinone with oxo groups at position 2 and 4. | 3 | 4 | 0 | imidazolidine-2,4-dione | |
| fluorobenzenes Fluorobenzenes: Derivatives of BENZENE that contain FLUORINE.. monofluorobenzene : The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent.. fluorobenzenes : Any fluoroarene that is a benzene or a substituted benzene carrying at least one fluoro group. | 4.23 | 5 | 0 | monofluorobenzenes | NMR chemical shift reference compound |
| 3-aminopyridine [no description available] | 2.05 | 1 | 0 | ||
| propadiene [no description available] | 7.51 | 30 | 0 | allenes | |
| ketene ketene: structure. ketene : Carbonyl compounds where the C=O bond is conjugated to an alkylidene group. | 5.42 | 18 | 0 | ketene | |
| dextropropoxyphene Dextropropoxyphene: A narcotic analgesic structurally related to METHADONE. Only the dextro-isomer has an analgesic effect; the levo-isomer appears to exert an antitussive effect.. propoxyphene : A racemate of the (1R,2R)- and (1S,2R)- diastereoisomers.. dextropropoxyphene : The (1S,2R)-(+)-diastereoisomer of propoxyphene. | 4.94 | 3 | 3 | 1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate | mu-opioid receptor agonist; opioid analgesic |
| 1,4-cineole 1,4-cineole: monoterpene; flavor component of lime Citrus medica L. var acida; structure given in first source. 1,4-cineole : An oxabicycloalkane consisting of p-menthane with an epoxy bridge across positions 1 and 4. | 2.05 | 1 | 0 | ||
| propiolic acid propiolic acid: RN given refers to parent cpd; structure. propynoic acid : A terminal acetylenic compound that is a 3-carbon, straight-chain, monounsaturated fatty acid having one acetylenic bond. | 7.48 | 2 | 0 | acetylenic fatty acid; alpha,beta-unsaturated monocarboxylic acid; monounsaturated fatty acid; short-chain fatty acid; terminal acetylenic compound | xenobiotic metabolite |
| fusarium Fusarium: A mitosporic Hypocreales fungal genus, various species of which are important parasitic pathogens of plants and a variety of vertebrates. Teleomorphs include GIBBERELLA. | 3.72 | 10 | 0 | ||
| funiculosin (anthraquinone) funiculosin (anthraquinone): see also a pyridone cpd called funiculosin; structure | 2.66 | 3 | 0 | trihydroxyanthraquinone | |
| dichloralantipyrine dichloralantipyrine: 1:2 compound of antipyrine with chloral hydrate | 1.95 | 1 | 0 | ||
| phthalimidine phthalimidine: structure given in first source. isoindolin-1-one : A member of the class of isoindoles that is 2,3-dihydro-1H-isoindole in which the hydrogens at positon 1 are replaced by an oxo group. | 2.96 | 3 | 0 | gamma-lactam; isoindoles | |
| epitestosterone Epitestosterone: The 17-alpha isomer of TESTOSTERONE, derived from PREGNENOLONE via the delta5-steroid pathway, and via 5-androstene-3-beta,17-alpha-diol. Epitestosterone acts as an antiandrogen in various target tissues. The ratio between testosterone/epitestosterone is used to monitor anabolic drug abuse.. epitestosterone : An androstanoid that is the C-17 epimer of testosterone. | 1.98 | 1 | 0 | 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen antagonist; human metabolite |
| ninhydrin Ninhydrin: 2,2-Dihydroxy-1H-indene-1,3-(2H)-dione. Reagent toxic to skin and mucus membranes. It is used in chemical assay for peptide bonds, i.e., protein determinations and has radiosensitizing properties.. ninhydrin : A member of the class of indanones that is indane-1,3-dione bearing two additional hydroxy substituents at position 2. | 2.08 | 1 | 0 | aromatic ketone; beta-diketone; indanones; ketone hydrate | colour indicator; human metabolite |
| bicuculline Bicuculline: An isoquinoline alkaloid obtained from Dicentra cucullaria and other plants. It is a competitive antagonist for GABA-A receptors.. bicuculline : A benzylisoquinoline alkaloid that is 6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline which is substituted at the 5-pro-S position by a (6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl group. A light-sensitive competitive antagonist of GABAA receptors. It was originally identified in 1932 in plant alkaloid extracts and has been isolated from Dicentra cucullaria, Adlumia fungosa, Fumariaceae, and several Corydalis species. | 2.13 | 1 | 0 | benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines | agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin |
| quinoline-4-carboxylic acid quinoline-4-carboxylic acid: structure given in first source | 2.13 | 1 | 0 | quinolinemonocarboxylic acid | |
| elemicin [no description available] | 2 | 1 | 0 | olefinic compound | |
| 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. | 2.72 | 3 | 0 | dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid | antinematodal drug; excitatory amino acid agonist |
| thioxanthone thioxanthone: structure in first source | 7.41 | 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. | 2.68 | 3 | 0 | amphetamines; phenethylamine alkaloid | plant metabolite |
| indoline indoline: structure given in first source | 3.96 | 12 | 0 | indoles | |
| coumaran 2,3-dihydrobenzofuran : A member of the class of 1-benzofurans that is the 2,3-dihydroderivative of benzofuran. | 2.1 | 1 | 0 | 1-benzofurans | metabolite |
| butenolide butenolide: inhibits experimental allergic encephalomyelitis in rats. butenolide : A gamma-lactone that consists of a 2-furanone skeleton and its substituted derivatives. | 10.02 | 12 | 0 | butenolide | |
| norcamphor norcamphor: RN given refers to cpd without isomeric desination | 2.04 | 1 | 0 | ||
| 2-norbornene norbornene : A bridged compound that is cyclohexane with a methylene bridge between carbons 1 and 4 and a double bond at position 2. | 3.07 | 4 | 0 | ||
| carvacrol carvacrol : A phenol that is a natural monoterpene derivative of cymene. An inhibitor of bacterial growth, it is used as a food additive. Potent activator of the human ion channels transient receptor potential V3 (TRPV3) and A1 (TRPA1). | 3.01 | 4 | 0 | botanical anti-fungal agent; p-menthane monoterpenoid; phenols | agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component |
| indophenol Indophenol: A deep blue dye (with the formula OC6H4NC6H4OH) used to detect AMMONIA in a common test called the Berthelot's reaction and to detect PARACETAMOL by spectrophotometry.. indophenol : A quinone imine obtained by formal condensation of one of the keto groups of benzoquinone with the amino group of 4-hydroxyaniline. | 2.35 | 2 | 0 | quinone imine | dye |
| phloroglucinol dimethyl ether phloroglucinol dimethyl ether: structure | 2.15 | 1 | 0 | methoxybenzenes; phenols | |
| biphenylacetylene biphenylacetylene : An arylacetylene that is acetylene in which the hydrogens are replaced by phenyl groups. | 2.03 | 1 | 0 | arylacetylene; benzenes | fluorochrome |
| 4-hydroxyphenylethanol 4-hydroxyphenylethanol: in chest gland secretion of galagos. 2-(4-hydroxyphenyl)ethanol : A phenol substituted at position 4 by a 2-hydroxyethyl group. | 2.02 | 1 | 0 | phenols | anti-arrhythmia drug; antioxidant; cardiovascular drug; fungal metabolite; geroprotector; plant metabolite; protective agent |
| 4-hydroxybutyric acid 4-hydroxybutyric acid: was an entry term to Sodium Oxybate (74-98). 4-hydroxybutyric acid : A 4-hydroxy monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 is replaced by a hydroxy group. | 2.13 | 1 | 0 | 4-hydroxy monocarboxylic acid; hydroxybutyric acid | general anaesthetic; GHB receptor agonist; neurotoxin; sedative |
| azomethane azomethane: structure | 2.03 | 1 | 0 | ||
| oxetane oxetane: structure. oxetane : A saturated organic heteromonocyclic parent that is a four-membered ring comprising of three carbon atoms and an oxygen atom. | 2.53 | 2 | 0 | oxetanes; saturated organic heteromonocyclic parent | |
| isovaleric acid isovaleric acid: structure. isovaleric acid : A C5, branched-chain saturated fatty acid. | 2.46 | 2 | 0 | branched-chain saturated fatty acid; methylbutyric acid; short-chain fatty acid | mammalian metabolite; plant metabolite |
| 1,3-cyclohexanedione 1,3-cyclohexanedione: structure. cyclohexane-1,3-dione : A cyclohexanedione carrying oxo substituents at positions 1 and 3. | 2.05 | 1 | 0 | beta-diketone; cyclohexanedione | |
| alpha-aminopyridine alpha-aminopyridine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #485. aminopyridine : Compounds containing a pyridine skeleton substituted by one or more amine groups. | 3.62 | 8 | 0 | ||
| 1,3-propanediol propane-1,3-diol : The simplest member of the class of propane-1,3-diols, consisting of propane in which one hydrogen from each methyl group is substituted by a hydroxy group. A colourless, viscous, water-miscible liquid with a high (210degreeC) boiling point, it is used in the synthesis of certain polymers and as a solvent and antifreeze. | 2.01 | 1 | 0 | propane-1,3-diols | metabolite; protic solvent |
| thiazolidines Thiazolidines: Reduced (protonated) form of THIAZOLES. They can be oxidized to THIAZOLIDINEDIONES. | 8.36 | 6 | 0 | thiazolidine | |
| 1,3-dithiane 1,3-dithiane: structure | 7.51 | 2 | 0 | dithiane | |
| iberin [no description available] | 2.4 | 2 | 0 | isothiocyanate; sulfoxide | apoptosis inducer; plant metabolite; quorum sensing inhibitor |
| mustard gas Mustard Gas: Severe irritant and vesicant of skin, eyes, and lungs. It may cause blindness and lethal lung edema and was formerly used as a war gas. The substance has been proposed as a cytostatic and for treatment of psoriasis. It has been listed as a known carcinogen in the Fourth Annual Report on Carcinogens (NTP-85-002, 1985) (Merck, 11th ed).. bis(2-chloroethyl) sulfide : An ethyl sulfide that is diethyl sulfide in which a hydrogen from each of the terminal methyl groups is replaced by a chlorine. It is a powerful vesicant regulated under the Chemical Weapons Convention. | 2.36 | 2 | 0 | ethyl sulfide; organochlorine compound | alkylating agent; carcinogenic agent; vesicant |
| thioacetic acid ethanethioic S-acid : A thioacetic acid that is acetic acid in which the oxygen atom of the hydroxy group has been replaced by a sulfur atom. | 2.46 | 2 | 0 | thioacetic acid | |
| tetranitromethane [no description available] | 7.43 | 2 | 0 | organonitrogen compound | |
| 2,3-dimethyl-1,3-butadiene 2,3-dimethyl-1,3-butadiene: structure in first source | 3.32 | 6 | 0 | ||
| abietic acid abietic acid : An abietane diterpenoid that is abieta-7,13-diene substituted by a carboxy group at position 18. | 2.02 | 1 | 0 | abietane diterpenoid; monocarboxylic acid | plant metabolite |
| elemene elemene: a sclerosing and antineoplastic agent isolated from Curcuma wenyujin & Rhizoma zedoariae; beta- and delta- elemene are also available | 3.03 | 4 | 0 | ||
| dihydrotestosterone Dihydrotestosterone: A potent androgenic metabolite of TESTOSTERONE. It is produced by the action of the enzyme 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE.. 17beta-hydroxyandrostan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4-5 double bond has been reduced to a single bond with unspecified configuration at position 5.. 17beta-hydroxy-5alpha-androstan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4,5 double bond has been reduced to a single bond with alpha-configuration at position 5. | 1.95 | 1 | 0 | 17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
| luminol Luminol: 5-Amino-2,3-dihydro-1,4-phthalazinedione. Substance that emits light on oxidation. It is used in chemical determinations. | 2.03 | 1 | 0 | ||
| n-hydroxyphthalimide N-hydroxyphthalimide: causes contact dermititis | 3.17 | 5 | 0 | ||
| flavone flavone: RN given refers to unlabeled cpd; structure given in first source. flavone : The simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2. | 2.02 | 1 | 0 | flavones | metabolite; nematicide |
| thiophene-2-carboxylate thiophene-2-carboxylic acid : A thiophenecarboxylic acid in which the carboxy group is located at position 2. | 2.73 | 3 | 0 | thiophenecarboxylic acid | |
| azomycin azomycin: RN given refers to parent cpd with specified locant; structure | 2.07 | 1 | 0 | C-nitro compound; imidazoles | antitubercular agent |
| 1,1-diphenylethylene 1,1-diphenylethylene: structure | 2.46 | 2 | 0 | ||
| herniarin herniarin: methoxy analog of umbelliferone; structure. herniarin : A member of the class of coumarins that is coumarin substituted by a methoxy group at position 7. | 2.11 | 1 | 0 | coumarins | fluorochrome |
| tropolone Tropolone: A seven-membered aromatic ring compound. It is structurally related to a number of naturally occurring antifungal compounds (ANTIFUNGAL AGENTS).. tropolone : A cyclic ketone that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2. It is a toxin produced by the agricultural pathogen Burkholderia plantarii. | 2.47 | 2 | 0 | alpha-hydroxy ketone; cyclic ketone; enol | bacterial metabolite; fungicide; toxin |
| 1,1-dimethoxyethane 1,1-dimethoxyethane : An acetal that is dimethoxymethane substituted by a methyl group at position 1. | 2.39 | 2 | 0 | acetal; diether | flavouring agent; plant metabolite |
| 2-methylfuran 2-methylfuran : A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a methyl group. | 2.06 | 1 | 0 | furans; volatile organic compound | flavouring agent; fuel; hepatotoxic agent; human urinary metabolite; plant metabolite |
| 4,6-dinitro-o-cresol 4,6-dinitro-o-cresol: RN given refers to parent cpd; structure. 4,6-dinitro-o-cresol : A hydroxytoluene that is o-cresol carrying nitro substituents at positions 4 and 6. | 2.72 | 2 | 0 | dinitrophenol acaricide; hydroxytoluene; nitrotoluene | dinitrophenol insecticide; fungicide; herbicide |
| phenylacetylene phenylacetylene: can polymerize into DENDRIMERS | 2.06 | 1 | 0 | benzenes | |
| methamphetamine Methamphetamine: A central nervous system stimulant and sympathomimetic with actions and uses similar to DEXTROAMPHETAMINE. The smokable form is a drug of abuse and is referred to as crank, crystal, crystal meth, ice, and speed.. methamphetamine : A member of the class of amphetamines in which the amino group of (S)-amphetamine carries a methyl substituent. | 2.03 | 1 | 0 | amphetamines; secondary amine | central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic |
| dicyclohexylcarbodiimide 1,3-dicyclohexylcarbodiimide : A carbodiimide compound having a cyclohexyl substituent on both nitrogen atoms. | 2.38 | 2 | 0 | carbodiimide | ATP synthase inhibitor; cross-linking reagent; peptide coupling reagent |
| tropone [no description available] | 2.1 | 1 | 0 | ||
| 1,2-dichloroethylene 1,2-dichloroethylene: RN given refers to cpd without isomeric designation | 2.03 | 1 | 0 | chloroethenes | |
| maleimide [no description available] | 2.8 | 3 | 0 | dicarboximide; maleimides | EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| 1-iodobutane [no description available] | 2.02 | 1 | 0 | ||
| malondialdehyde Malondialdehyde: The dialdehyde of malonic acid.. malonaldehyde : A dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form. | 4.32 | 19 | 0 | dialdehyde | biomarker |
| bis(chloromethyl) ether Bis(Chloromethyl) Ether: A substance that is an irritant to the eyes and respiratory tract and may be carcinogenic.. bis(chloromethyl) ether : An ether that is dimethyl ether in which one of the hydrogens attached to each of the methyl group has replaced by a chlorine. | 1.95 | 1 | 0 | ether; organochlorine compound | alkylating agent; carcinogenic agent |
| 3-hexen-1-ol 3-hexen-1-ol: RN given refers to (Z)-isomer; a green odor chemical. hex-3-en-1-ol : A primary alcohol that is hex-3-ene substituted by a hydroxy group at position 1. | 2.49 | 2 | 0 | alkenyl alcohol; homoallylic alcohol; primary alcohol; volatile organic compound | plant metabolite |
| n-butyl nitrite n-butyl nitrite: RN given refers to parent cpd; structure in Merck Index, 9th ed, #1570 | 2.82 | 3 | 0 | nitroso compound | |
| myristic acid Myristic Acid: A saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils. It is used to synthesize flavor and as an ingredient in soaps and cosmetics. (From Dorland, 28th ed). tetradecanoic acid : A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat.. tetradecanoate : A long-chain fatty acid anion that is the conjugate base of myristic acid; major species at pH 7.3. | 2.88 | 3 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite |
| n-hexadecane n-hexadecane: structure. hexadecane : A straight-chain alkane with 16 carbon atoms. It is a component of essential oil isolated from long pepper. | 3.28 | 6 | 0 | long-chain alkane | non-polar solvent; plant metabolite; volatile oil component |
| dimethylzinc [no description available] | 7.46 | 2 | 0 | ||
| trinitrobenzenesulfonic acid Trinitrobenzenesulfonic Acid: A reagent that is used to neutralize peptide terminal amino groups.. 2,4,6-trinitrobenzenesulfonic acid : The arenesulfonic acid that is benzenesulfonic acid with three nitro substituents in the 2-, 4- and 6-positions. | 2.03 | 1 | 0 | arenesulfonic acid; C-nitro compound | epitope; explosive; reagent |
| eosine yellowish-(ys) Eosine Yellowish-(YS): A versatile red dye used in cosmetics, pharmaceuticals, textiles, etc., and as tissue stain, vital stain, and counterstain with HEMATOXYLIN. It is also used in special culture media.. eosin YS dye : An organic sodium salt that is 2',4',5',7'-tetrabromofluorescein in which the carboxy group and the phenolic hydroxy group have been deprotonated and the resulting charge is neutralised by two sodium ions. | 2.31 | 1 | 0 | organic sodium salt; organobromine compound | fluorochrome; histological dye |
| violacein [no description available] | 2.08 | 1 | 0 | ||
| paeonol paeonol: structure | 2.05 | 1 | 0 | methoxybenzenes; phenols | metabolite |
| lithium carbonate Lithium Carbonate: A lithium salt, classified as a mood-stabilizing agent. Lithium ion alters the metabolism of BIOGENIC MONOAMINES in the CENTRAL NERVOUS SYSTEM, and affects multiple neurotransmission systems. | 2.01 | 1 | 0 | carbonate salt; lithium salt | antimanic drug |
| beta-phellandrene [no description available] | 2.77 | 3 | 0 | phellandrene | plant metabolite |
| glycylglycine [no description available] | 2.01 | 1 | 0 | dipeptide zwitterion; dipeptide | human metabolite |
| glycidol glycidol: structure given in first source | 2 | 1 | 0 | epoxide; primary alcohol | |
| diethylzinc [no description available] | 3.42 | 7 | 0 | ||
| 2-methyl-1,2-epoxypropane 2-methyl-1,2-epoxypropane: structure given in first source | 4 | 4 | 0 | epoxide | |
| 4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol 4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol: structure in first source. 4-terpineol : A terpineol that is 1-menthene carrying a hydroxy substituent at position 4. | 2.06 | 1 | 0 | terpineol; tertiary alcohol | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiparasitic agent; apoptosis inducer; plant metabolite; volatile oil component |
| glycerylphosphorylcholine Glycerylphosphorylcholine: A component of PHOSPHATIDYLCHOLINES or LECITHINS, in which the two hydroxy groups of GLYCEROL are esterified with fatty acids. (From Stedman, 26th ed) | 2.63 | 3 | 0 | glycerophosphocholine | |
| 2,3-dimethyl-2-butene 2,3-dimethyl-2-butene: structure given in first source | 4.03 | 14 | 0 | ||
| congo red Congo Red: An acid dye used in testing for hydrochloric acid in gastric contents. It is also used histologically to test for AMYLOIDOSIS.. Congo Red : An indicator dye that is blue-violet at pH 3.0 and red at pH 5.0. | 2.71 | 3 | 0 | bis(azo) compound | |
| potassium carbonate potassium carbonate : A potassium salt that is the dipotassium salt of carbonic acid. | 2.72 | 3 | 0 | carbonate salt; potassium salt | catalyst; fertilizer; flame retardant |
| succinimide succinimide: RN given refers to parent cpd. succinimide : A dicarboximide that is pyrrolidine which is substituted by oxo groups at positions 2 and 5. | 7.46 | 2 | 0 | dicarboximide; pyrrolidinone | |
| terpinolene [no description available] | 2.77 | 3 | 0 | p-menthadiene | insect repellent; plant metabolite; sedative; volatile oil component |
| nitrosobenzene [no description available] | 2.05 | 1 | 0 | benzenes; nitroso compound | xenobiotic metabolite |
| diphenylamine Diphenylamine: In humans it may be irritating to mucous membranes. Methemoglobinemia has been produced experimentally. In veterinary use, it is one of active ingredients in topical agents for prevention and treatment of screwworm infestation. An indicator in tests for nitrate poisoning.. diphenylamine : An aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union. | 7.03 | 1 | 0 | aromatic amine; bridged diphenyl fungicide; secondary amino compound | antifungal agrochemical; antioxidant; carotogenesis inhibitor; EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor; ferroptosis inhibitor; radical scavenger |
| isovalerylaldehyde isovalerylaldehyde: structure in Merck Index, 9th ed, #5093. 3-methylbutanal : A methylbutanal that is butanal substituted by a methyl group at position 3. It occurs as a volatile constituent in olives. | 2.11 | 1 | 0 | methylbutanal | flavouring agent; plant metabolite; Saccharomyces cerevisiae metabolite; volatile oil component |
| angelica lactone angelica lactone: RN given refers to cpd without isomeric designation; structure | 1.93 | 1 | 0 | angelica lactone; butenolide | |
| iodobenzene iodobenzene: RN given refers to unlabeled parent cpd | 3.27 | 6 | 0 | ||
| levulinic acid levulinic acid: inhibits 5-aminolevulinic acid dehydratase; RN given refers to parent cpd; structure in Merck Index, 9th ed, #5316. 4-oxopentanoic acid : An oxopentanoic acid with the oxo group in the 4-position. | 2.15 | 1 | 0 | oxopentanoic acid; straight-chain saturated fatty acid | plant metabolite |
| allyl acetate allyl acetate: potential fumigant for treating stored grains | 2.83 | 3 | 0 | ||
| 1-hexene 1-hexene: structure in first source. 1-hexene : An alkene that is hexane carrying a double bond at position 1. | 6.55 | 60 | 0 | alkene | |
| 1-cyano-3-butene 4-pentenenitrile: an unsaturated aliphatic nitrile; structure in first source | 2.39 | 2 | 0 | ||
| 1,3-cyclohexadiene 1,3-cyclohexadiene: structure given in first source | 2.49 | 2 | 0 | cyclohexadiene | |
| allyl sulfide allyl sulfide: essence of garlic; inhibits CYP2E1 | 2.42 | 2 | 0 | organic sulfide | |
| octadecane octadecane: RN given refers to parent cpd. octadecane : A straight-chain alkane carrying 18 carbon atoms. | 2.13 | 1 | 0 | long-chain alkane | bacterial metabolite; plant metabolite |
| fluoromethane fluoromethane: RN given refers to parent cpd. fluorocarbon : Compounds consisting wholly of fluorine and carbon.. fluoromethane : A member of the class of fluoromethanes that is methane in which a single hydrogen is substituted by a fluorine atom. | 3.19 | 1 | 0 | fluorohydrocarbon; fluoromethanes; methyl halides | refrigerant |
| vinyl bromide vinyl bromide: structure | 2.68 | 3 | 0 | bromoalkene; monohaloethene | |
| 1-methylcyclopropane 1-methylcyclopropane: do not confuse with MCP cpd (1-methylcyclopropene) | 2.68 | 3 | 0 | ||
| 2-hydroxyisobutyric acid 2-hydroxyisobutyric acid : A 2-hydroxy monocarboxylic acid that is isobutyric acid bearing a hydroxy substituent at position 2. It is a metabolite of methyl tertiary-butyl ether. | 2.11 | 1 | 0 | 2-hydroxy monocarboxylic acid | human xenobiotic metabolite |
| 2-chloroacrylic acid 2-chloroacrylic acid : A chlorocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by chlorine. | 2.05 | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; chlorocarboxylic acid | metabolite |
| (s)-binol (1,1'-binaphthalene)-2,2'-diol: structure in first source | 2.77 | 3 | 0 | naphthols | |
| triphenylphosphine triphenylphosphine: RN given refers to parent cpd. triphenylphosphine : A member of the class of tertiary phosphines that is phosphane in which the three hydrogens are replaced by phenyl groups. | 2.99 | 4 | 0 | benzenes; tertiary phosphine | NMR chemical shift reference compound; reducing agent |
| 1,1'-binaphthyl 1,1'-binaphthyl: structure in first source | 2.07 | 1 | 0 | ||
| methyl carbonate methyl carbonate: RN given refers to unlabeled parent cpd; structure. dimethyl carbonate : A carbonate ester that is carbonic acid in which both hydrogens are replaced by methyl groups. A flammable, colourless liquid (m.p. 2-4degreeC, b.p. 90degreeC) with a characterstic ester-like odour, it is used as a 'green' methylating agent and as a solvent. | 2.44 | 2 | 0 | carbonate ester | reagent; solvent |
| 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). | 2.45 | 2 | 0 | pyrrolidin-2-ones | metabolite; polar solvent |
| acetylcysteine N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine. | 6.58 | 9 | 1 | acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid | antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary |
| triethylsilane [no description available] | 2.05 | 1 | 0 | organosilicon compound | reducing agent |
| benzenesulfinic acid [no description available] | 2.46 | 2 | 0 | organosulfinic acid | |
| 3-isopropylphenol 3-isopropylphenol: RN given refers to parent cpd | 1.96 | 1 | 0 | ||
| 4-ethyltoluene [no description available] | 2.13 | 1 | 0 | ||
| diazoacetic ester diazoacetic ester: structure | 3.29 | 6 | 0 | ||
| dimethyl disulfide [no description available] | 3.14 | 5 | 0 | organic disulfide | xenobiotic metabolite |
| 2,4-pentanediol 2,4-pentanediol: RN given refers to parent cpd | 2.07 | 1 | 0 | ||
| 2,5-dimethylfuran 2,5-dimethylfuran: metabolite of n-hexane. 2,5-dimethylfuran : A member of the class of furans that is furan in which the hydrogens at positions 2 and 5 are replaced by methyl groups. | 2.06 | 1 | 0 | furans | antifungal agent; bacterial metabolite; fuel; fumigant; human urinary metabolite; Maillard reaction product; plant metabolite |
| 3-iodoaniline 3-iodoaniline: the 125I cpd used for radiolabeling biotin; structure given in first source | 2.01 | 1 | 0 | ||
| propylurea [no description available] | 2.04 | 1 | 0 | ||
| 1,4-cyclohexadiene [no description available] | 3.16 | 5 | 0 | cyclohexadiene | |
| ethyl palmitate ethyl hexadecanoate : A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of ethanol. | 2.08 | 1 | 0 | hexadecanoate ester; long-chain fatty acid ethyl ester | plant metabolite |
| 2-nonanol 2-nonanol: from purple and yellow passion fruits. nonan-2-ol : A secondary alcohol that is nonane substituted by a hydroxy group at position 2. | 2.21 | 1 | 0 | nonanol; secondary alcohol | bacterial metabolite; flavouring agent; pheromone; plant metabolite; rat metabolite; volatile oil component |
| tridecane tridecane : A straight chain alkane containing 13 carbon atoms. It forms a component of the essential oils isolated from plants such as Abelmoschus esculentus. | 3.37 | 6 | 0 | long-chain alkane | plant metabolite; volatile oil component |
| n-tetradecane tetradecane : A straight chain alkane consisting of 14 carbon atoms. | 2.48 | 2 | 0 | long-chain alkane | plant metabolite; volatile oil component |
| pentadecane pentadecane : A straight-chain alkane with 15 carbon atoms. It is a component of volatile oils isolated from plants species like Scandix balansae. | 3.47 | 7 | 0 | long-chain alkane | animal metabolite; plant metabolite; volatile oil component |
| heptadecane heptadecane : A straight-chain alkane with 17 carbon atoms. It is a component of essential oils from plants like Opuntia littoralis and Annona squamosa. | 3.32 | 6 | 0 | long-chain alkane | plant metabolite; volatile oil component |
| nonadecane nonadecane : A straight-chain alkane with 19 carbon atoms. It has been found as a component of essential oils isolated from Artemisia armeniaca. | 2.13 | 1 | 0 | long-chain alkane | plant metabolite; volatile oil component |
| docosane docosane : A straight-chain alkane with 22 carbon atoms. | 2.13 | 1 | 0 | long-chain alkane | plant metabolite |
| phytane [no description available] | 2.02 | 1 | 0 | diterpene | |
| n-tricosane n-tricosane: repels ovipositing female mosquitoes. tricosane : A straight chain alkane containing 23 carbon atoms. | 2.25 | 1 | 0 | long-chain alkane | plant metabolite; volatile oil component |
| erythromycin Erythromycin: A bacteriostatic antibiotic macrolide produced by Streptomyces erythreus. Erythromycin A is considered its major active component. In sensitive organisms, it inhibits protein synthesis by binding to 50S ribosomal subunits. This binding process inhibits peptidyl transferase activity and interferes with translocation of amino acids during translation and assembly of proteins.. erythromycin : Any of several wide-spectrum macrolide antibiotics obtained from actinomycete Saccharopolyspora erythraea (formerly known as Streptomyces erythraeus).. erythromycin A : An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively. | 3.24 | 6 | 0 | cyclic ketone; erythromycin | |
| formal glycol [no description available] | 2.01 | 1 | 0 | cyclic acetal; dioxolane | |
| tetracosane tetracosane: a pure alkane compound. tetracosane : A straight-chain alkane containing 24 carbon atoms. | 2.25 | 1 | 0 | long-chain alkane | plant metabolite; volatile oil component |
| isosorbide Isosorbide: 1,4:3,6-Dianhydro D-glucitol. Chemically inert osmotic diuretic used mainly to treat hydrocephalus; also used in glaucoma. | 2.46 | 2 | 0 | organic molecular entity | |
| tetracyanoethylene tetracyanoethene: structure in first source | 1.97 | 1 | 0 | ||
| homoserine homoserine : An alpha-amino acid that is glycine substituted at the alpha-position by a 2-hydroxyethyl group.. L-homoserine : The L-enantiomer of homoserine. | 3.04 | 1 | 0 | amino acid zwitterion; homoserine | algal metabolite; Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
| nitrosoguanidines Nitrosoguanidines: Nitrosylated derivatives of guanidine. They are used as MUTAGENS in MOLECULAR BIOLOGY research. | 2.35 | 2 | 0 | ||
| 2-piperidone 2-piperidone: structure given in first source. piperidin-2-one : A delta-lactam that is piperidine which is substituted by an oxo group at position 2. | 3.46 | 7 | 0 | delta-lactam; piperidones | EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor |
| 1,5,9-cyclododecatriene [no description available] | 2.11 | 1 | 0 | ||
| hempa Hempa: A chemosterilant agent that is anticipated to be a carcinogen. | 2.01 | 1 | 0 | phosphoramide | insect sterilant; mutagen |
| hexafluoroacetone hexafluoroacetone: structure; RN given refers to parent cpd. hexafluoroacetone : A ketone that is acetone in which all the methyl hydrogens are replaced by fluoro groups. | 7.54 | 2 | 0 | ketone; perfluorinated compound | NMR chemical shift reference compound |
| pyridine n-oxide pyridine N-oxide: RN given refers to parent cpd. pyridine N-oxide : The pyridine N-oxide derived from the parent pyridine. It is a drug metabolite of the antihypertensive agent pinacidil. | 2.45 | 2 | 0 | pyridine N-oxides | drug metabolite |
| acetylenedicarboxylic acid dimethyl ester acetylenedicarboxylic acid dimethyl ester: inhibitor of oxidative phosphorylation | 2.05 | 1 | 0 | ||
| 9,10-dimethylanthracene 9,10-dimethylanthracene: RN given refers to parent ion | 7.03 | 1 | 0 | ||
| 4,4'-biphenyldicarboxylic acid 4,4'-biphenyldicarboxylic acid: structure in first source | 2.08 | 1 | 0 | ||
| triphenylphosphine oxide triphenylphosphine oxide: used in the extraction, separation & spectrophotometric determination of cadmium & mercury in environmental samples. triphenylphosphane oxide : A phosphine oxide in which the substituents on phosphorus are three phenyl groups. | 2.73 | 3 | 0 | phosphine oxide | NMR chemical shift reference compound |
| 2-nonanone 2-nonanone: RN given refers to cpd with locant for oxo moiety in position 2. nonanone : Any ketone that is nonane substituted by an oxo group at unspecified position.. nonan-2-one : A methyl ketone that is nonane in which the methylene hydrogens at position 2 are replaced by an oxo group. | 2.13 | 1 | 0 | methyl ketone | plant metabolite |
| 1,6-hexamethylene diisocyanate hexamethylene diisocyanate : A diisocyanate compound with the two isocyanates linked by a hexane-1,6-diyl group. | 2.15 | 1 | 0 | diisocyanate | allergen; hapten |
| malononitrile dimer Malononitrile dimer: has antithyroid activity; inhibits conversion of monoiodotyrosine to diiodotyrosine | 3.19 | 6 | 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. | 2.7 | 3 | 0 | enoate ester | allergen; polymerisation monomer |
| vinylene carbonate [no description available] | 2.04 | 1 | 0 | ||
| n-methylpyrrolidone 1-methylpyrrolidin-2-one: structure in first source. N-methylpyrrolidin-2-one : A member of the class of pyrrolidine-2-ones that is pyrrolidin-2-one in which the hydrogen attached to the nitrogen is replaced by a methyl group. | 2.03 | 1 | 0 | lactam; N-alkylpyrrolidine; pyrrolidin-2-ones | polar aprotic solvent |
| diphenyl disulfide [no description available] | 2.1 | 1 | 0 | benzenes | |
| hexafluoroisopropanol 1,1,1,3,3,3-hexafluoropropan-2-ol : An organofluorine compound formed by substitution of all the methyl protons in propan-2-ol by fluorine. It is a metabolite of inhalation anesthetic sevoflurane. | 2.66 | 2 | 0 | organofluorine compound; secondary alcohol | drug metabolite |
| 3,4-epoxy-1-butene 3,4-epoxy-1-butene: RN given refers to monomer | 2.42 | 2 | 0 | ||
| 3-methylfuran 3-methylfuran: RN given refers to cpd with specified locant for methyl group. 3-methylfuran : A member of the class of furans that is furan in which the hydrogen at position 3 is replaced by a methyl group. It is a chemical that is produced in foods during food processing and preservation techniques that involve heat treatment such as cooking and pasteurization. | 2.06 | 1 | 0 | furans; volatile organic compound | Aspergillus metabolite; environmental contaminant; fungal metabolite; Penicillium metabolite; plant metabolite |
| cyclopentenone 2-cyclopenten-1-one : An enone that is cyclopentanone having a C=C double bond at position 2. | 10.12 | 13 | 0 | alicyclic ketone; enone | Hsp70 inducer |
| 2-cyclohexen-1-one 2-cyclohexen-1-one: RN given refers to unlabeled cpd with specified locant for double bond. cyclohexenone : The parent compound of the cyclohexenones, composed of cyclohexanone having one double bond in the ring.. cyclohex-2-enone : A cyclohexenone having its C=C double bond at the 2-position. | 2.41 | 2 | 0 | cyclohexenone | |
| bicyclo(2.2.2)oct-2-ene bicyclo(2.2.2)oct-2-ene: structure in first source | 2.01 | 1 | 0 | ||
| n-phenylmaleimide N-phenylmaleimide: structure in Merck Index, 9th ed, #7104 | 2.03 | 1 | 0 | ||
| 1,2,3,4-tetrahydrocarbazole 1,2,3,4-tetrahydrocarbazole: structure in first source | 2.05 | 1 | 0 | ||
| deoxyuridine [no description available] | 2.99 | 4 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| rhodamine 6g rhodamine 6G: RN given refers to HCl | 2.11 | 1 | 0 | ||
| tri-n-butylphosphine [no description available] | 2.01 | 1 | 0 | ||
| 3-phenylpyridine [no description available] | 2.15 | 1 | 0 | ||
| 2-phenylpyridine 2-phenylpyridine: structure given in first source | 2.08 | 1 | 0 | ||
| allylglycine Allylglycine: An inhibitor of glutamate decarboxylase and an antagonist of GAMMA-AMINOBUTYRIC ACID. It is used to induce convulsions in experimental animals. | 2.02 | 1 | 0 | ||
| ethambutol Ethambutol: An antitubercular agent that inhibits the transfer of mycolic acids into the cell wall of the tubercle bacillus. It may also inhibit the synthesis of spermidine in mycobacteria. The action is usually bactericidal, and the drug can penetrate human cell membranes to exert its lethal effect. (From Smith and Reynard, Textbook of Pharmacology, 1992, p863). ethambutol : An ethylenediamine derivative that is ethane-1,2-diamine in which one hydrogen attached to each of the nitrogens is sutstituted by a 1-hydroxybutan-2-yl group (S,S-configuration). It is a bacteriostatic antimycobacterial drug, effective against Mycobacterium tuberculosis and some other mycobacteria. It is used (as the dihydrochloride salt) in combination with other antituberculous drugs in the treatment of pulmonary and extrapulmonary tuberculosis; resistant strains of M. tuberculosis are readily produced if ethambutol is used alone. | 2.15 | 1 | 0 | ethanolamines; ethylenediamine derivative | antitubercular agent; environmental contaminant; xenobiotic |
| phenylglyoxal [no description available] | 2.49 | 2 | 0 | phenylacetaldehydes | |
| 4-vinylbenzoic acid [no description available] | 2.05 | 1 | 0 | ||
| 4-(4-nitrobenzyl)pyridine [no description available] | 1.98 | 1 | 0 | ||
| tri-n-octylamine [no description available] | 2.05 | 1 | 0 | ||
| undecane undecane : A straight-chain alkane with 11 carbon atoms. | 2.53 | 2 | 0 | alkane | |
| 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 | |
| 4-dimethylaminopyridine 4-dimethylaminopyridine: catalyst for acetylation of hydroxy cpds; structure | 2.47 | 2 | 0 | dialkylarylamine; tertiary amino compound | |
| tetramethylpyrazine tetramethylpyrazine: found in Ligusticum chuanxiong. tetramethylpyrazine : A member of the class of pyrazines that is pyrazine in which all four hydrogens have been replaced by methyl groups. An alkaloid extracted from Chuanxiong (Ligusticum wallichii). | 2.31 | 1 | 0 | alkaloid; pyrazines | antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent |
| 3-methyl-2-cyclohexen-1-one 3-methyl-2-cyclohexen-1-one: in a releaser significantly reduced trap catches and spruce beetle attacks on standing live spruce by 96 and 87%, respectively | 2.1 | 1 | 0 | cyclic olefin | |
| fenchone, (+-)-isomer fenchone: RN given refers to cpd with unspecified isomeric designation. fenchone : A carbobicyclic compound that is fenchane in which the hydrogens at position 2 are replaced by an oxo group. It is a component of essential oil from fennel (Foeniculum vulgare). | 2.07 | 1 | 0 | carbobicyclic compound; cyclic terpene ketone; fenchane monoterpenoid | plant metabolite |
| 2,2'-dipyridylamine dipyridin-2-ylamine: structure in first source | 2.05 | 1 | 0 | ||
| durapatite Durapatite: The mineral component of bones and teeth; it has been used therapeutically as a prosthetic aid and in the prevention and treatment of osteoporosis.. hydroxylapatite : A phosphate mineral with the formula Ca5(PO4)3(OH). | 2.76 | 3 | 0 | ||
| cadmium sulfide [no description available] | 2.06 | 1 | 0 | cadmium molecular entity | |
| potassium hydroxide potassium hydroxide: RN given refers to cpd with MF of K-OH | 2.77 | 3 | 0 | alkali metal hydroxide | |
| sodium hydroxide Sodium Hydroxide: A highly caustic substance that is used to neutralize acids and make sodium salts. (From Merck Index, 11th ed) | 2.85 | 3 | 0 | alkali metal hydroxide | |
| manganese dioxide [no description available] | 3.13 | 5 | 0 | manganese molecular entity; metal oxide | |
| molybdenum trioxide [no description available] | 2.47 | 2 | 0 | molybdenum oxide | |
| zinc oxide Zinc Oxide: A mild astringent and topical protectant with some antiseptic action. It is also used in bandages, pastes, ointments, dental cements, and as a sunblock. | 4.57 | 5 | 1 | zinc molecular entity | |
| vanadium pentoxide [no description available] | 2.46 | 2 | 0 | vanadium oxide | |
| beta-pinene beta-pinene: alpha-pinene is also available. beta-pinene : An isomer of pinene with an exocyclic double bond. It is a component of essential oils from many plants. | 4.78 | 28 | 0 | pinene | plant metabolite |
| hydrofluoric acid Hydrofluoric Acid: Hydrofluoric acid. A solution of hydrogen fluoride in water. It is a colorless fuming liquid which can cause painful burns.. hydrogen fluoride : A diatomic molecule containing covalently bonded hydrogen and fluorine atoms.. organofluorine compound : An organofluorine compound is a compound containing at least one carbon-fluorine bond. | 3.31 | 6 | 0 | hydrogen halide; mononuclear parent hydride | NMR chemical shift reference compound |
| ferrous oxide [no description available] | 2.06 | 1 | 0 | iron oxide | |
| vancomycin Vancomycin: Antibacterial obtained from Streptomyces orientalis. It is a glycopeptide related to RISTOCETIN that inhibits bacterial cell wall assembly and is toxic to kidneys and the inner ear.. vancomycin : A complex glycopeptide from Streptomyces orientalis. It inhibits a specific step in the synthesis of the peptidoglycan layer in the Gram-positive bacteria Staphylococcus aureus and Clostridium difficile. | 3.01 | 4 | 0 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
| d-alpha tocopherol Vitamin E: A generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of ISOPRENOIDS.. tocopherol : A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain.. vitamin E : Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen.. (R,R,R)-alpha-tocopherol : An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. | 4.38 | 21 | 0 | alpha-tocopherol | algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite |
| tocopherols [no description available] | 3.84 | 3 | 0 | ||
| lysergol lysergol: structure given in first source; RN given refers to (8beta)-isomer. lysergol : An alkaloid of the ergoline family that occurs as a minor constituent in some species of fungi and in the morning glory family of plants. Its structure is that of ergoline with a methyl group at N-6 and a beta-hydroxymethyl substituent at C-8. | 2.41 | 1 | 0 | ergoline alkaloid | |
| pseudouridine [no description available] | 1.95 | 1 | 0 | pseudouridines | fundamental metabolite |
| picolinamide picolinamide: degradation product of diquat. pyridinecarboxamide : A member of the class of pyridines that is a substituted pyridine in which at least one of the substituents is a carboxamide or N-substituted caraboxamide group.. picolinamide : A pyridinecarboxamide that is the monocarboxylic acid amide derivative of picolinic acid. | 7.5 | 2 | 0 | pyridinecarboxamide | |
| selenomethionine [no description available] | 2.1 | 1 | 0 | selenoamino acid; selenomethionines | plant metabolite |
| selenocystine selenocystine: RN given refers to parent cpd; structure | 2.25 | 1 | 0 | diselenide; selenoamino acid | |
| bisphenol a-glycidyl methacrylate Bisphenol A-Glycidyl Methacrylate: The reaction product of bisphenol A and glycidyl methacrylate that undergoes polymerization when exposed to ultraviolet light or mixed with a catalyst. It is used as a bond implant material and as the resin component of dental sealants and composite restorative materials. | 2.04 | 1 | 0 | diarylmethane | |
| 4-toluenesulfonyl hydrazide [no description available] | 2.11 | 1 | 0 | ||
| 1-pentene-3-one 1-penten-3-one : An enone that is pent-1-ene substituted by an oxo group at position 3. | 2.43 | 2 | 0 | enone | flavouring agent; genotoxin; human metabolite; plant metabolite |
| methyl tert-butyl ether methyl tert-butyl ether: used to dissolve gallstones; gasoline additive. methyl tert-butyl ether : An ether having methyl and tert-butyl as the two alkyl components. | 2.95 | 4 | 0 | ether | fuel additive; metabolite; non-polar solvent |
| dodecyldimethylamine oxide dodecyldimethylamine oxide: zwitterionic detergent. dodecyldimethylamine N-oxide : A tertiary amine oxide resulting from the formal oxidation of the amino group of dodecyldimethylamine. | 2.06 | 1 | 0 | tertiary amine oxide | detergent; plant metabolite |
| tert-butyl acrylate tert-butyl acrylate: structure in first source | 2.1 | 1 | 0 | ||
| diphenyldiselenide diphenyldiselenide: structure given in first source | 2.25 | 1 | 0 | ||
| 2,5-dihydrofuran 2,5-dihydrofuran: structure in first source | 2.21 | 1 | 0 | ||
| 1,1-dichloro-1-fluoroethane [no description available] | 1.99 | 1 | 0 | ||
| decane decane : A straight-chain alkane with 10 carbon atoms. | 8.41 | 7 | 0 | alkane | |
| stearylamine stearylamine: RN given refers to parent cpd. octadecan-1-amine : An 18-carbon primary aliphatic amine. | 2.05 | 1 | 0 | primary aliphatic amine | film-forming compound |
| 4-nitrothiophenolate 4-nitrothiophenolate: RN given refers to parent cpd | 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. | 2.17 | 1 | 0 | aromatic fungicide; dinitrile; tetrachlorobenzene | antifungal agrochemical |
| paraquat Paraquat: A poisonous dipyridilium compound used as contact herbicide. Contact with concentrated solutions causes irritation of the skin, cracking and shedding of the nails, and delayed healing of cuts and wounds.. paraquat : An organic cation that consists of 4,4'-bipyridine bearing two N-methyl substituents loctated at the 1- and 1'-positions. | 2.43 | 2 | 0 | organic cation | geroprotector; herbicide |
| pristane pristane: structure. pristane : A norterpene that is an acyclic saturated hydrocarbon derived from phytane by loss of its C-16 terminal methyl group. | 2.02 | 1 | 0 | long-chain alkane; norterpene | biomarker; immunological adjuvant |
| s,n,n'-tripropylthiocarbamate Reward: An object or a situation that can serve to reinforce a response, to satisfy a motive, or to afford pleasure.. vernolate : A monounsaturated fatty acid anion that is the conjugate base of vernolic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. | 2.1 | 1 | 0 | tertiary amine | |
| nitrapyrin [no description available] | 1.99 | 1 | 0 | chloropyridine | agrochemical; antibacterial agent; nitrification inhibitor |
| tetrabutylammonium tetrabutylammonium: lipophilic probe; RN given refers to parent cpd | 2.75 | 3 | 0 | quaternary ammonium ion | |
| dronabinol Dronabinol: A psychoactive compound extracted from the resin of Cannabis sativa (marihuana, hashish). The isomer delta-9-tetrahydrocannabinol (THC) is considered the most active form, producing characteristic mood and perceptual changes associated with this compound.. Delta(9)-tetrahydrocannabinol : A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. The principal psychoactive constituent of the cannabis plant, it is used for treatment of anorexia associated with AIDS as well as nausea and vomiting associated with cancer chemotherapy. | 2.17 | 1 | 0 | benzochromene; diterpenoid; phytocannabinoid; polyketide | cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic |
| methionine sulfoximine methionine sulfoximine : A non-proteinogenic alpha-amino acid that is the sulfoximine derivative of methionine . | 2.41 | 2 | 0 | methionine derivative; non-proteinogenic alpha-amino acid; sulfoximide | |
| meldrum's acid Meldrum's acid: structure given in first source | 3.14 | 5 | 0 | ||
| diallyl trisulfide [no description available] | 2.04 | 1 | 0 | organic trisulfide | anti-inflammatory agent; antilipemic drug; antineoplastic agent; antioxidant; antiprotozoal drug; apoptosis inducer; estrogen receptor antagonist; insecticide; platelet aggregation inhibitor; vasodilator agent |
| perillaldehyde perillaldehyde: from oil of Perillae herba; has neuropharmacological actions; RN given refers to cpd without isomeric designation; structure in Merck Index, 9th ed, #6956. perillyl aldehyde : An aldehyde that is cyclohex-1-ene-1-carbaldehyde substituted by a prop-1-en-2-yl group at position 4. | 2.04 | 1 | 0 | aldehyde; olefinic compound | human metabolite; mouse metabolite; volatile oil component |
| azetidyl-2-carboxylic acid azetidyl-2-carboxylic acid: a proline analog (with 4-membered ring in place of 5); a toxic non-protein amino acid that is misincorporated into protein in place of proline; induces nonfunctional heat-shock proteins; inhibits acquired thermotolerance; RN given refers to (L)-isomer; found in beets and Liliaceae. (S)-azetidine-2-carboxylic acid : The (S)-enantiomer of azetidine-2-carboxylic acid.. azetidinecarboxylic acid : A member of the class of azetidines that is azetidine substituted by at least one carboxy group at unspecified position. | 2.06 | 1 | 0 | azetidine-2-carboxylic acid | |
| phenethyl isothiocyanate phenethyl isothiocyanate: a dietary liver aldehyde dehydrogenase inhibitor; promotes urinary bladder carcinoma. phenethyl isothiocyanate : An isothiocyanate having a phenethyl group attached to the nitrogen. It is a naturally occurring compound found in some cruciferous vegetables (e.g. watercress) and is known to possess anticancer properties. | 2.4 | 2 | 0 | isothiocyanate | antineoplastic agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite |
| peroxyacetyl nitrate peroxyacetyl nitrate: important air pollutant; structure | 2.42 | 2 | 0 | ||
| gamma-dodecalactone gamma-dodecalactone: structure in first source. gamma-dodecalactone : A gamma-lactone that is oxolan-2-one substituted by an octyl group at position 5. | 2.11 | 1 | 0 | gamma-lactone | bacterial metabolite; fungal metabolite; volatile oil component |
| trifluoroiodomethane [no description available] | 2.52 | 2 | 0 | ||
| fluorescein Fluorescein: A phthalic indicator dye that appears yellow-green in normal tear film and bright green in a more alkaline medium such as the aqueous humor.. fluorescein (lactone form) : A xanthene dye that is highly fluorescent, detectable even when present in minute quantities. Used forensically to detect traces of blood, in analytical chemistry as an indicator in silver nitrate titrations and in microscopy. | 2.78 | 3 | 0 | 2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye | fluorescent dye; radioopaque medium |
| methyl thioglycolate methyl thioglycolate: RN given refers to parent cpd | 2.38 | 2 | 0 | ||
| thioflavin t thioflavin T: RN given refers to chloride; structure. thioflavine T : An organic chloride salt having 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium as the counterion. It is widely used to visualise and quantify the presence of amyloids, both in vitro and in vivo. | 2.44 | 2 | 0 | organic chloride salt | fluorochrome; geroprotector; histological dye |
| direct blue 15 direct blue 15: RN given refers to tetra-Na salt. Pontamine sky blue 5B : An organic sodium salt resulting from the formal condensation of Pontamine sky blue 5B (acid form) with four equivalents of sodium hydroxide. | 3.12 | 1 | 0 | ||
| 1-tridecene [no description available] | 3.73 | 10 | 0 | acyclic olefin | |
| alpha-terpineol terpineol : A family of monoterpenols that have a p-menthane skeleton containing one double bond and bearing a single hydroxy substituent. | 3.21 | 5 | 0 | terpineol | plant metabolite |
| fucose Fucose: A six-member ring deoxysugar with the chemical formula C6H12O5. It lacks a hydroxyl group on the carbon at position 6 of the molecule.. L-fucopyranose : The pyranose form of L-fucose.. fucose : Any deoxygalactose that is deoxygenated at the 6-position. | 1.94 | 1 | 0 | fucopyranose; L-fucose | Escherichia coli metabolite; mouse metabolite |
| 3-(trimethoxysilyl)propyl methacrylate 3-(trimethoxysilyl)propyl methacrylate: structure in first source | 2.1 | 1 | 0 | ||
| sulfur hexafluoride Sulfur Hexafluoride: Sulfur hexafluoride. An inert gas used mainly as a test gas in respiratory physiology. Other uses include its injection in vitreoretinal surgery to restore the vitreous chamber and as a tracer in monitoring the dispersion and deposition of air pollutants.. sulfur hexafluoride : A sulfur coordination entity consisting of six fluorine atoms attached to a central sulfur atom. It is the most potent greenhouse gas currently known, with a global warming potential of 23,900 times that of CO2 over a 100 year period (SF6 has an estimated lifetime in the atmosphere of between 800 and 3,000 years). | 2.44 | 2 | 0 | sulfur coordination entity | greenhouse gas; NMR chemical shift reference compound; ultrasound contrast agent |
| octogen octogen: an explosive compound, contaminant in waste water; structure given in third source. octogen : A tetrazocane that is 1,3,5,7-tetrazocane in which the hydrogen atom attached to each of the nitrogens is replaced by a nitro group. | 2.07 | 1 | 0 | N-nitro compound; tetrazocane | explosive |
| o-chlorobenzylidenemalonitrile o-Chlorobenzylidenemalonitrile: A riot control agent which causes temporary irritation of the eyes and the mucosal surface of the respiratory tract. It is a more potent irritant than OMEGA-CHLOROACETOPHENONE, but less incapacitating. | 2.35 | 2 | 0 | organochlorine compound | |
| sulfuryl fluoride sulfuryl fluoride: fumigant | 3.37 | 4 | 0 | sulfuryl halide | fumigant insecticide |
| alpha-thujene alpha-thujene: volatile oil constituent of Monodora myristica (Gaertn) Dunal; structure in first source. alpha-thujene : A thujene that has a bicyclo[3.1.0]hex-2-ene skeleton which is substituted at positions 2 and 5 by methyl and isopropyl groups, respectively. | 2.57 | 2 | 0 | thujene | |
| squaric acid [no description available] | 2.11 | 1 | 0 | alicyclic ketone; carbon oxoacid | metabolite |
| stavudine Stavudine: A dideoxynucleoside analog that inhibits reverse transcriptase and has in vitro activity against HIV.. stavudine : A nucleoside analogue obtained by formal dehydration across positions 2 and 3 of thymidine. An inhibitor of HIV-1 reverse transcriptase | 2.11 | 1 | 0 | dihydrofuran; nucleoside analogue; organic molecular entity | antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| copper(ii) nitrate copper(II) nitrate : An inorganic nitrate salt having copper(2+) as the couterion. | 2.11 | 1 | 0 | inorganic nitrate salt | |
| trimethylolpropane trimethacrylate trimethylolpropane trimethacrylate: acrylate derivative found in ultraviolet curing inks; structure in 1st source | 2.05 | 1 | 0 | carbonyl compound | |
| tetramethylsuccinonitrile [no description available] | 2.6 | 1 | 0 | ||
| sabinene sabinene: RN given refers to cpd without isomeric designation. sabinene : A thujene that is a bicyclic monoterpene isolated from the essential oils of various plant species. | 4.26 | 17 | 0 | thujene | plant metabolite |
| 1-octen-3-ol 1-octen-3-ol: main flavor component of mushrooms; RN given refers to cpd without isomeric designation; bait for insect vectors (tsetse, sandflies, mosquitoes). oct-1-en-3-ol : An alkenyl alcohol with a structure based on a C8 unbranched chain with the hydroxy group at C-2 and unsaturation at C-1-C-2. It is a major volatile compound present in many mushrooms and fungi. | 2.21 | 1 | 0 | alkenyl alcohol; medium-chain fatty alcohol | antimicrobial agent; fungal metabolite; insect attractant; volatile oil component |
| alpha-eicosene arachidene: mixture of ethyl esters of unsaturated fatty acids | 2.05 | 1 | 0 | ||
| mannose mannopyranose : The pyranose form of mannose. | 3.69 | 10 | 0 | D-aldohexose; D-mannose; mannopyranose | metabolite |
| dithiothreitol 1,4-dimercaptobutane-2,3-diol : A glycol that is butane-2,3-diol in which a hydrogen from each of the methyl groups is replaced by a thiol group.. 1,4-dithiothreitol : The threo-diastereomer of 1,4-dimercaptobutane-2,3-diol. | 2.72 | 3 | 0 | 1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol | chelator; human metabolite; reducing agent |
| phenoxyacetic acid phenoxyacetic acid : A monocarboxylic acid that is the O-phenyl derivative of glycolic acid. A metabolite of 2-phenoxyethanol, it is used in the manufacture of pharmaceuticals, pesticides, fungicides and dyes. | 2.5 | 2 | 0 | aromatic ether; monocarboxylic acid | allergen; Aspergillus metabolite; human xenobiotic metabolite; plant growth retardant |
| ecdysone [no description available] | 3.04 | 1 | 0 | 14alpha-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; 6-oxo steroid; ecdysteroid | prohormone |
| dimethyl trisulfide [no description available] | 2.05 | 1 | 0 | organic trisulfide | |
| methyl vinyl sulfone [no description available] | 2.11 | 1 | 0 | ||
| 1,7-octadiene 1,7-octadiene : An alkadiene that is octane carrying two double bonds at positions 1 and 7. | 3.49 | 7 | 0 | alkadiene | |
| 3-phenoxybenzoic acid 3-phenoxybenzoic acid: metabolite associated with exposure to pyrethroid insecticides. 3-phenoxybenzoic acid : A phenoxybenzoic acid in which the phenoxy group is meta to the carboxy group. It is a metabolite of pyrethroid insecticides. | 2.25 | 1 | 0 | phenoxybenzoic acid | human xenobiotic metabolite; marine xenobiotic metabolite |
| streptomycin [no description available] | 2.42 | 2 | 0 | antibiotic antifungal drug; antibiotic fungicide; streptomycins | antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor |
| 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. | 6.16 | 41 | 0 | carbon oxoanion | |
| n-methylacetamide-oxotremorine m N-methylacetamide-oxotremorine M: RN given refers to iodide; structure given in first source | 2.41 | 1 | 0 | ||
| 2,2'-diamino-1,1'-dinaphthyl 2,2'-diamino-1,1'-dinaphthyl: structure in first source | 2.06 | 1 | 0 | ||
| 1,3-dithiolane [no description available] | 2.06 | 1 | 0 | dithiolane | |
| buthionine sulfoximine Buthionine Sulfoximine: A synthetic amino acid that depletes glutathione by irreversibly inhibiting gamma-glutamylcysteine synthetase. Inhibition of this enzyme is a critical step in glutathione biosynthesis. It has been shown to inhibit the proliferative response in human T-lymphocytes and inhibit macrophage activation. (J Biol Chem 1995;270(33):1945-7). 2-amino-4-(S-butylsulfonimidoyl)butanoic acid : A non-proteinogenic alpha-amino acid that is homocysteine in which the thiol group carries an oxo, imino and butyl groups.. S-butyl-DL-homocysteine (S,R)-sulfoximine : A sulfoximide that is the sulfoximine derivative of an analogue of DL-methionine in which the S-methyl group is replaced by S-butyl. | 2.41 | 2 | 0 | diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide | EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer |
| 1,3-diphenylisobenzofuran 1,3-diphenylisobenzofuran: quencher of singlet oxygen, inhibits arachidonic acid induced platelet aggregation | 2.41 | 2 | 0 | ||
| iodinated glycerol iodinated glycerol: secretolytic agent; RN given refers to cpd without iodine locant | 2.31 | 1 | 0 | dioxolane | |
| isometheptene isometheptene: RN given refers to cpd without isomeric designation; structure in Merck Index, 9th ed, #5040 | 4.59 | 3 | 2 | secondary amino compound | |
| limonene Limonene: A naturally-occurring class of MONOTERPENES which occur as a clear colorless liquid at room temperature. Limonene is the major component in the oil of oranges which has many uses, including as flavor and fragrance. It is recognized as safe in food by the Food and Drug Administration (FDA).. limonene : A monoterpene that is cyclohex-1-ene substituted by a methyl group at position 1 and a prop-1-en-2-yl group at position 4 respectively. | 6.03 | 33 | 0 | cycloalkene; p-menthadiene | human metabolite |
| di-n-propyl trisulfide di-n-propyl trisulfide: antioxidant found in Allium species; structure in first source | 2.04 | 1 | 0 | organic trisulfide | |
| n-methylaspartate N-Methylaspartate: An amino acid that, as the D-isomer, is the defining agonist for the NMDA receptor subtype of glutamate receptors (RECEPTORS, NMDA).. N-methyl-D-aspartic acid : An aspartic acid derivative having an N-methyl substituent and D-configuration. | 2.01 | 1 | 0 | amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound | neurotransmitter agent |
| c.i. acid red 114, disodium salt C.I. Acid Red 114: source gives many trade names; structure in first source | 3.12 | 1 | 0 | ||
| 1-(2-methoxy-5-nitrophenylazo)-2-hydroxy-3-(3-nitrophenylcarbamoyl)naphthalene [no description available] | 3.12 | 1 | 0 | ||
| octyl 2-cyanoacrylate [no description available] | 2.05 | 1 | 0 | ||
| propargyl ether propargyl ether: structure in first source | 2.47 | 2 | 0 | ||
| iridium Iridium: A metallic element with the atomic symbol Ir, atomic number 77, and atomic weight 192.22. | 8.23 | 103 | 0 | cobalt group element atom; platinum group metal atom | |
| lanthanum [no description available] | 3.52 | 8 | 0 | f-block element atom; lanthanoid atom; scandium group element atom | |
| manganese Manganese: A trace element with atomic symbol Mn, atomic number 25, and atomic weight 54.94. It is concentrated in cell mitochondria, mostly in the pituitary gland, liver, pancreas, kidney, and bone, influences the synthesis of mucopolysaccharides, stimulates hepatic synthesis of cholesterol and fatty acids, and is a cofactor in many enzymes, including arginase and alkaline phosphatase in the liver. (From AMA Drug Evaluations Annual 1992, p2035). manganese(4+) : A manganese cation that is monoatomic and has a formal charge of +4. | 7.83 | 73 | 0 | elemental manganese; manganese group element atom | Escherichia coli metabolite; micronutrient |
| 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. | 11.47 | 14 | 0 | elemental mercury; zinc group element atom | neurotoxin |
| 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. | 13.43 | 68 | 0 | chromium group element atom | micronutrient |
| neodymium Neodymium: An element of the rare earth family of metals. It has the atomic symbol Nd, atomic number 60, and atomic weight 144.24, and is used in industrial applications. | 2.07 | 1 | 0 | f-block element atom; lanthanoid atom | |
| niobium Niobium: A metal element atomic number 41, atomic weight 92.906, symbol Nb. | 2.54 | 2 | 0 | vanadium group element atom | |
| osmium Osmium: A very hard, gray, toxic, and nearly infusible metal element, atomic number 76, atomic weight 190.2, symbol Os. | 5.22 | 15 | 0 | iron group element atom; platinum group metal atom | |
| 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. | 12.18 | 760 | 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. | 8.32 | 53 | 0 | elemental platinum; nickel group element atom; platinum group metal atom | |
| plutonium Plutonium: A naturally radioactive element of the actinide metals series. It has the atomic symbol Pu, and atomic number 94. Plutonium is used as a nuclear fuel, to produce radioisotopes for research, in radionuclide batteries for pacemakers, and as the agent of fission in nuclear weapons. | 1.95 | 1 | 0 | actinoid atom; f-block element atom | |
| rhenium Rhenium: A metal, atomic number 75, atomic weight 186.207, symbol Re. | 6.48 | 23 | 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. | 10.22 | 328 | 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. | 12.44 | 305 | 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. | 4.75 | 9 | 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. | 4.02 | 13 | 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. | 7.54 | 68 | 0 | copper group element atom; elemental silver | Escherichia coli metabolite |
| tantalum Tantalum: A rare metallic element, atomic number 73, atomic weight 180.948, symbol Ta. It is a noncorrosive and malleable metal that has been used for plates or disks to replace cranial defects, for wire sutures, and for making prosthetic devices. | 2.96 | 4 | 0 | vanadium group element atom | |
| technetium Technetium: The first artificially produced element and a radioactive fission product of URANIUM. Technetium has the atomic symbol Tc, and atomic number 43. All technetium isotopes are radioactive. Technetium 99m (m=metastable) which is the decay product of Molybdenum 99, has a half-life of about 6 hours and is used diagnostically as a radioactive imaging agent. Technetium 99 which is a decay product of technetium 99m, has a half-life of 210,000 years. | 2.77 | 3 | 0 | manganese group element atom | |
| terbium Terbium: An element of the rare earth family of metals. It has the atomic symbol Tb, atomic number 65, and atomic weight 158.92. | 2.06 | 1 | 0 | f-block element atom; lanthanoid atom | |
| thorium Thorium: A radioactive element of the actinide series of metals. It has an atomic symbol Th, atomic number 90, and atomic weight 232.04. It is used as fuel in nuclear reactors to produce fissionable uranium isotopes. Because of its radioopacity, various thorium compounds are used to facilitate visualization in roentgenography. | 2.06 | 1 | 0 | actinoid atom; f-block element atom | |
| thulium Thulium: An element of the rare earth family of metals. It has the atomic symbol Tm, atomic number 69, and atomic weight 168.93. | 2.05 | 1 | 0 | f-block element atom; lanthanoid atom | |
| 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. | 6.7 | 69 | 0 | titanium group element atom | |
| tungsten Tungsten: A metallic element with the atomic symbol W, atomic number 74, and atomic weight 183.85. It is used in many manufacturing applications, including increasing the hardness, toughness, and tensile strength of steel; manufacture of filaments for incandescent light bulbs; and in contact points for automotive and electrical apparatus. | 11.32 | 19 | 0 | chromium group element atom | micronutrient |
| americium Americium: A completely man-made radioactive actinide with atomic symbol Am, and atomic number 95. Its valence can range from +3 to +6. Because of its nonmagnetic ground state, it is an excellent superconductor. It is also used in bone mineral analysis and as a radiation source for radiotherapy. | 2.01 | 1 | 0 | actinoid atom; f-block 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. | 2.73 | 3 | 0 | monoatomic argon; noble gas atom; p-block element atom | food packaging gas; neuroprotective agent |
| arsine arsine: structure. arsine : Arsane (AsH3) and compounds derived from it by substituting one, two or three hydrogen atoms by hydrocarbyl groups: RAsH2, R2AsH, R3As (R =/= H) are called primary, secondary and tertiary arsines, respectively. A specific arsine is preferably named as a substituted arsane. | 3.56 | 2 | 0 | arsanes; arsine; mononuclear parent hydride | |
| 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. | 2.25 | 1 | 0 | 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. | 3.14 | 5 | 0 | f-block element atom; lanthanoid atom | |
| chromium Chromium: A trace element that plays a role in glucose metabolism. It has the atomic symbol Cr, atomic number 24, and atomic weight 52. According to the Fourth Annual Report on Carcinogens (NTP85-002,1985), chromium and some of its compounds have been listed as known carcinogens.. chromium ion : An chromium atom having a net electric charge.. chromium atom : A chromium group element atom that has atomic number 24. | 4.28 | 18 | 0 | chromium group element atom; metal allergen | micronutrient |
| curium Curium: A radioactive actinide with atomic symbol Cm, and atomic number 96. Thirteen curium isotopes have been produced with mass numbers ranging from 238-250. Its valence can be +3 or +4. It is intensely radioactive and decays by alpha-emission. | 2.06 | 1 | 0 | actinoid atom; f-block element atom | |
| erbium Erbium: Erbium. An element of the rare earth family of metals. It has the atomic symbol Er, atomic number 68, and atomic weight 167.26. | 2.46 | 2 | 0 | f-block element atom; lanthanoid atom | |
| europium Europium: An element of the rare earth family of metals. It has the atomic symbol Eu, atomic number 63, and atomic weight 152. Europium is used in the form of its salts as coatings for cathode ray tubes and in the form of its organic derivatives as shift reagents in NMR spectroscopy. | 2.52 | 2 | 0 | f-block element atom; lanthanoid atom | |
| gadolinium Gadolinium: An element of the rare earth family of metals. It has the atomic symbol Gd, atomic number 64, and atomic weight 157.25. Its oxide is used in the control rods of some nuclear reactors. | 2.75 | 3 | 0 | f-block element atom; lanthanoid atom | |
| gold Gold: A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts. | 8.87 | 105 | 0 | copper group element atom; elemental gold | |
| hafnium Hafnium: A metal element of atomic number 72 and atomic weight 178.49, symbol Hf. | 3 | 4 | 0 | titanium group element atom | |
| helium Helium: A noble gas with the atomic symbol He, atomic number 2, and atomic weight 4.003. It is a colorless, odorless, tasteless gas that is not combustible and does not support combustion. It was first detected in the sun and is now obtained from natural gas. Medically it is used as a diluent for other gases, being especially useful with oxygen in the treatment of certain cases of respiratory obstruction, and as a vehicle for general anesthetics. | 2.77 | 3 | 0 | monoatomic helium; noble gas atom; s-block element atom | food packaging gas |
| holmium Holmium: An element of the rare earth family of metals. It has the atomic symbol Ho, atomic number 67, and atomic weight 164.93. | 2.08 | 1 | 0 | f-block element atom; lanthanoid atom | |
| 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. | 5.21 | 15 | 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. | 3.28 | 6 | 0 | f-block element atom; lanthanoid atom | |
| yttrium Yttrium: An element of the rare earth family of metals. It has the atomic symbol Y, atomic number 39, and atomic weight 88.91. In conjunction with other rare earths, yttrium is used as a phosphor in television receivers and is a component of the yttrium-aluminum garnet (YAG) lasers. | 8.76 | 10 | 0 | d-block element atom; rare earth metal atom; scandium group element atom | |
| zirconium Zirconium: A rather rare metallic element with atomic number 40, atomic weight 91.224, and symbol Zr. | 7.27 | 73 | 0 | titanium group element atom | |
| aluminum chloride Aluminum Chloride: A compound with the chemical formula AlCl3; the anhydrous salt is used as a catalyst in organic chemical synthesis, and hydrated salts are used topically as antiperspirants, and for the management of HYPERHYDROSIS. | 2.98 | 4 | 0 | aluminium coordination entity | Lewis acid |
| cupric chloride cupric chloride: RN given refers to unlabeled parent cpd. copper(II) chloride : An inorganic chloride of copper in which the metal is in the +2 oxidation state. | 3.17 | 5 | 0 | copper molecular entity; inorganic chloride | EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor |
| mercuric chloride Mercuric Chloride: Mercury chloride (HgCl2). A highly toxic compound that volatizes slightly at ordinary temperature and appreciably at 100 degrees C. It is corrosive to mucous membranes and used as a topical antiseptic and disinfectant.. mercury dichloride : A mercury coordination entity made up of linear triatomic molecules in which a mercury atom is bonded to two chlorines. Water-soluble, it is highly toxic. Once used in a wide variety of applications, including preserving wood and anatomical specimens, embalming and disinfecting, as an intensifier in photography, as a mordant for rabbit and beaver furs, and freeing gold from lead, its use has markedly declined as less toxic alternatives have been developed. | 2.44 | 2 | 0 | mercury coordination entity | sensitiser |
| acetylglucosamine Acetylglucosamine: The N-acetyl derivative of glucosamine.. N-acetyl-beta-D-glucosamine : An N-acetyl-D-glucosamine having beta-configuration at the anomeric centre. | 1.98 | 1 | 0 | N-acetyl-D-glucosamine | epitope |
| galactosamine 2-amino-2-deoxy-D-galactopyranose : The pyranose form of D-galactosamine.. D-galactosamine : The D-stereoisomer of galactosamine. | 2 | 1 | 0 | D-galactosamine; primary amino compound | toxin |
| titanium tetrachloride titanium tetrachloride: RN given refers to TiCl4 | 2.03 | 1 | 0 | ||
| perchloric acid [no description available] | 1.94 | 1 | 0 | chlorine oxoacid | |
| stannic chloride [no description available] | 2.46 | 2 | 0 | ||
| palladium chloride palladium chloride: RN given refers to parent cpd; structure. palladium(II) chloride : A palladium coordination entity consisting of palladium(II) bound to two chlorine atoms. | 3.33 | 6 | 0 | palladium coordination entity | catalyst |
| cesium chloride cesium chloride: RN given refers to unlabeled cpd. caesium chloride : The inorganic chloride salt of caesium; each caesium ion is coordinated by eight chlorine ions. | 2.02 | 1 | 0 | inorganic caesium salt; inorganic chloride | phase-transfer catalyst; vasoconstrictor agent |
| 2-nitrobenzenesulfenyl chloride 2-nitrobenzenesulfenyl chloride: structure | 1.92 | 1 | 0 | ||
| hypochlorous acid Hypochlorous Acid: An oxyacid of chlorine (HClO) containing monovalent chlorine that acts as an oxidizing or reducing agent.. hypochlorous acid : A chlorine oxoacid with formula HOCl; a weak, unstable acid, it is the active form of chlorine in water. | 3.75 | 3 | 0 | chlorine oxoacid; reactive oxygen species | EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite |
| camptothecin NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source | 3.23 | 6 | 0 | delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite |
| ferric chloride ferric chloride: RN given refers to cpd with MF of Fe-Cl3; used to induce experimental arterial thrombosis to evaluate antithrombotic agents | 2.98 | 4 | 0 | iron coordination entity | astringent; Lewis acid |
| nickel chloride nickel chloride: RN given refers to cpd with MF of Ni-Cl2. nickel dichloride : A compound of nickel and chloride in which the ratio of nickel (in the +2 oxidation state) to chloride is 1:2. | 7.5 | 2 | 0 | nickel coordination entity | calcium channel blocker; hapten |
| ferrous sulfate ferrous sulfate: Ferro-Gradumet is ferrous sulfate in controlled release form; RN given refers to Fe(+2)[1:1] salt. iron(2+) sulfate (anhydrous) : A compound of iron and sulfate in which the ratio of iron(2+) to sulfate ions is 1:1. Various hydrates occur naturally - most commonly the heptahydrate, which loses water to form the tetrahydrate at 57degreeC and the monohydrate at 65degreeC. | 2.48 | 2 | 0 | iron molecular entity; metal sulfate | reducing agent |
| 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. | 7.84 | 70 | 0 | mononuclear parent hydride; phosphanes; phosphine | carcinogenic agent; fumigant insecticide |
| isopentenyladenosine Isopentenyladenosine: N(6)-[delta(3)-isopentenyl]adenosine. Isopentenyl derivative of adenosine which is a member of the cytokinin family of plant growth regulators.. N(6)-(Delta(2)-isopentenyl)adenosine : A nucleoside analogue in which adenosine has been modified by substitution at the 6-amino nitrogen by a Delta(2)-isopentenyl group. | 2.35 | 2 | 0 | N-ribosyl-N(6)-isopentenyladenine; nucleoside analogue | antineoplastic agent; plant growth regulator; plant metabolite |
| 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. | 11.01 | 36 | 0 | diatomic bromine | |
| potassium persulfate [no description available] | 2.51 | 2 | 0 | ||
| chromic acid [no description available] | 1.92 | 1 | 0 | chromium oxoacid | oxidising agent |
| potassium nitrate potassium nitrate: RN given refers to cpd with MF of K-HNO3; when combined with charcoal and sulfur it can form EXPLOSIVE AGENTS. potassium nitrate : The inorganic nitrate salt of potassium. | 3.47 | 1 | 1 | inorganic nitrate salt; potassium salt | fertilizer |
| sodium sulfate [no description available] | 2.08 | 1 | 0 | inorganic sodium salt | |
| tricalcium phosphate tricalcium phosphate: a form of tricalcium phosphate used as bioceramic bone replacement material; see also records for alpha-tricalcium phosphate, beta-tricalcium phosphate, calcium phosphate; apatitic tricalcium phosphate Ca9(HPO4)(PO4)5(OH) is the calcium orthophosphate leading to beta tricalcium phosphate Ca3(PO4)2 (b-TCP). calcium phosphate : A calcium salt composed of calcium and phosphate/diphosphate ions; present in milk and used for the mineralisation of calcified tissues. | 2.07 | 1 | 0 | calcium phosphate | |
| ferrous chloride ferrous chloride: induces convulsions; RN given refers to parent cpd | 2.77 | 3 | 0 | iron coordination entity | |
| chromates Chromates: Salts of chromic acid containing the CrO(2-)4 radical.. chromate(2-) : A chromium oxoanion resulting from the removal of two protons from chromic acid. | 2.34 | 2 | 0 | chromium oxoanion; divalent inorganic anion | oxidising agent |
| 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. | 2.51 | 2 | 0 | metal sulfate | emetic; fertilizer; sensitiser |
| tungstate [no description available] | 2 | 1 | 0 | divalent inorganic anion; tungsten oxoanion | |
| silver nitrate Silver Nitrate: A silver salt with powerful germicidal activity. It has been used topically to prevent OPHTHALMIA NEONATORUM. | 3.25 | 6 | 0 | inorganic nitrate salt; silver salt | astringent |
| deuterium Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus. | 11.58 | 64 | 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. | 8.77 | 79 | 0 | diatomic fluorine; gas molecular entity | NMR chemical shift reference compound |
| chlorine Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family. | 6.02 | 37 | 0 | diatomic chlorine; gas molecular entity | bleaching agent |
| nitrous acid Nitrous Acid: Nitrous acid (HNO2). A weak acid that exists only in solution. It can form water-soluble nitrites and stable esters. (From Merck Index, 11th ed) | 2.81 | 3 | 0 | nitrogen oxoacid | |
| antimony pentafluoride antimony pentafluoride: often mixed with acids to form super acids | 2.05 | 1 | 0 | antimony molecular entity; inorganic fluoride salt | Lewis acid; NMR solvent |
| silver iodide silver iodide: RN given refers to silver iodide [1:1] | 2.04 | 1 | 0 | ||
| bismuth trichloride [no description available] | 2.08 | 1 | 0 | ||
| deuterium oxide Deuterium Oxide: The isotopic compound of hydrogen of mass 2 (deuterium) with oxygen. (From Grant & Hackh's Chemical Dictionary, 5th ed) It is used to study mechanisms and rates of chemical or nuclear reactions, as well as biological processes. | 7.82 | 3 | 0 | deuterated compound; water | NMR solvent |
| fluorosulfonic acid perfluorosulfonic acid: sulfonated tetrafluoroethylene-based fluoropolymer–copolymer | 2.73 | 3 | 0 | sulfur oxoacid | NMR solvent |
| cupric bromide [no description available] | 2.11 | 1 | 0 | ||
| molybdate ion molybdate : A divalent inorganic anion obtained by removal of both protons from molybdic acid | 2.1 | 1 | 0 | divalent inorganic anion; molybdenum oxoanion | Escherichia coli metabolite |
| chlorosulfonic acid [no description available] | 2.35 | 2 | 0 | ||
| sulfonyl chloride [no description available] | 7.79 | 3 | 0 | sulfuryl halide | |
| sulfur trioxide sulfur trioxide: RN given refers to parent cpd | 2.1 | 1 | 0 | sulfur oxide | |
| galactose aldohexose : A hexose with a (potential) aldehyde group at one end. | 6.65 | 17 | 0 | ||
| poloxalene Poloxalene: A copolymer of polyethylene and polypropylene ether glycol. It is a non-ionic polyol surface-active agent used medically as a fecal softener and in cattle for prevention of bloat.. pluronic : A triblock copolymer composed of a central hydrophobic chain of poly(propylene oxide) flanked by two hydrophilic chains of poly(ethylene oxide). | 2.1 | 1 | 0 | epoxide | |
| hexamethyldisiloxane dimethicone: a linear silicone; an ingredient of SIMETHICONE; lotion of dimeticone in a volatile silicone base has been used to treat LICE | 2.43 | 2 | 0 | organosiloxane | |
| sulfur monochloride [no description available] | 2 | 1 | 0 | ||
| zirconium chloride zirconium tetrachloride : A zirconium coordination entity comprising four chlorine atoms bound to a central zirconium atom. | 2.45 | 2 | 0 | inorganic chloride; zirconium coordination entity | catalyst |
| ozone Ozone: The unstable triatomic form of oxygen, O3. It is a powerful oxidant that is produced for various chemical and industrial uses. Its production is also catalyzed in the ATMOSPHERE by ULTRAVIOLET RAY irradiation of oxygen or other ozone precursors such as VOLATILE ORGANIC COMPOUNDS and NITROGEN OXIDES. About 90% of the ozone in the atmosphere exists in the stratosphere (STRATOSPHERIC OZONE).. ozone : An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs. | 8.08 | 121 | 0 | elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen | antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer |
| radon Radon: A naturally radioactive element with atomic symbol Rn, and atomic number 86. It is a member of the noble gas family found in soil, and is released during the decay of RADIUM.. radon(0) : A monoatomic radon that has an oxidation state of zero. | 1.98 | 1 | 0 | monoatomic radon; noble gas atom; p-block element atom | |
| chlorine dioxide chlorine dioxide: equal or superior to chlorine when used as wastewater disinfectant | 2.07 | 1 | 0 | chlorine dioxide | |
| 1,3-dichloro-1-propene 1,3-dichloro-1-propene: soil fumigant; RN given refers to cpd without isomeric designation; structure. 1,3-dichloropropene : A chloropropene with two chloro substituents at positions 1 and 3 respectively.. | 1.99 | 1 | 0 | ||
| sodium selenite disodium selenite : An inorganic sodium salt composed of sodium and selenite ions in a 2:1 ratio. | 1.98 | 1 | 0 | inorganic sodium salt; selenite salt | nutraceutical |
| boron trichloride [no description available] | 2.05 | 1 | 0 | ||
| trolamine salicylate Arthritis: Acute or chronic inflammation of JOINTS. | 2.65 | 3 | 0 | ||
| rhamnose [no description available] | 3.12 | 5 | 0 | L-rhamnose | |
| nitrogen tetroxide nitrogen tetroxide: toxic irritant in rocket fuel; structure | 2.61 | 3 | 0 | nitrogen oxide | oxidising agent |
| carbendazim carbendazim: carcinogen when combined with sodium nitrite; principle metabolite of thiophanate methyl & benomyl; structure. carbendazim : A member of the class of benzimidazoles that is 2-aminobenzimidazole in which the primary amino group is substituted by a methoxycarbonyl group. A fungicide, carbendazim controls Ascomycetes, Fungi Imperfecti, and Basidiomycetes on a wide variety of crops, including bananas, cereals, cotton, fruits, grapes, mushrooms, ornamentals, peanuts, sugarbeet, soybeans, tobacco, and vegetables. | 2.17 | 1 | 0 | benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent |
| ammonium bromide ammonium bromide : An ammonium salt composed of ammonium and bromide ions in a 1:1 ratio. | 2 | 1 | 0 | ammonium salt; bromide salt | NMR chemical shift reference compound |
| ammonium fluoride ammonium fluoride : A fluoride salt having ammonium (NH4+) as the counterion. | 2.02 | 1 | 0 | ammonium salt; fluoride salt | |
| ammonium chloride Ammonium Chloride: An acidifying agent that has expectorant and diuretic effects. Also used in etching and batteries and as a flux in electroplating.. ammonium chloride : An inorganic chloride having ammonium as the counterion. | 7.52 | 2 | 0 | ammonium salt; inorganic chloride | ferroptosis inhibitor |
| ethionine L-ethionine : An S-ethylhomocysteine that has S-configuration at the chiral centre. | 1.94 | 1 | 0 | S-ethylhomocysteine | antimetabolite; carcinogenic agent |
| gallium chloride gallium chloride: RN given refers to parent cpd | 2.82 | 3 | 0 | ||
| titanium dioxide titanium dioxide: used medically as protectant against externally caused irritation & sunlight; high concentrations of dust may cause irritation to respiratory tract; RN given refers to titanium oxide (TiO2); structure. titanium dioxide : A titanium oxide with the formula TiO2. A naturally occurring oxide sourced from ilmenite, rutile and anatase, it has a wide range of applications. | 4.03 | 13 | 0 | titanium oxides | food colouring |
| 3-carene 3-carene: RN given refers to cpd without isomeric designation | 2.78 | 3 | 0 | monoterpene | |
| salen disalicylaldehyde ethylenediamine: reagents for determination of iron | 3.74 | 10 | 0 | ||
| tiletamine hydrochloride Cyclohexanones: Cyclohexane ring substituted by one or more ketones in any position.. cyclohexanones : Any alicyclic ketone based on a cyclohexane skeleton and its substituted derivatives thereof. | 5.95 | 32 | 0 | ||
| cephalexin Cephalexin: A semisynthetic cephalosporin antibiotic with antimicrobial activity similar to that of CEPHALORIDINE or CEPHALOTHIN, but somewhat less potent. It is effective against both gram-positive and gram-negative organisms.. cephalexin : A semisynthetic first-generation cephalosporin antibiotic having methyl and beta-(2R)-2-amino-2-phenylacetamido groups at the 3- and 7- of the cephem skeleton, respectively. It is effective against both Gram-negative and Gram-positive organisms, and is used for treatment of infections of the skin, respiratory tract and urinary tract. | 1.97 | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
| tetradecanoylphorbol acetate Tetradecanoylphorbol Acetate: A phorbol ester found in CROTON OIL with very effective tumor promoting activity. It stimulates the synthesis of both DNA and RNA.. phorbol ester : Esters of phorbol, originally found in croton oil (from Croton tiglium, of the family Euphorbiaceae). A number of phorbol esters possess activity as tumour promoters and activate the mechanisms associated with cell growth. Some of these are used in experiments as activators of protein kinase C.. phorbol 13-acetate 12-myristate : A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted into the corresponding acetate and myristate esters. It is a major active constituent of the seed oil of Croton tiglium. It has been used as a tumour promoting agent for skin carcinogenesis in rodents and is associated with increased cell proliferation of malignant cells. However its function is controversial since a decrease in cell proliferation has also been observed in several cancer cell types. | 2.93 | 4 | 0 | acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester | antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator |
| sodium bisulfide sodium bisulfide: RN given refers to sodium sulfide (Na(SH)); see also record for sodium sulfide (Na2S) | 2.02 | 1 | 0 | ||
| fluoroboric acid [no description available] | 2.76 | 3 | 0 | boron fluoride | |
| trichloroepoxyethane trichloroepoxyethane: structure given in first source | 1.96 | 1 | 0 | epoxide | mouse metabolite |
| fluorides [no description available] | 7.06 | 42 | 0 | halide anion; monoatomic fluorine | |
| 18-crown-6 18-crown-6 : A crown ether that is cyclooctadecane in which the carbon atoms at positions 1, 4, 7, 10, 13 and 16 have been replaced by oxygen atoms. | 2.1 | 1 | 0 | crown ether; saturated organic heteromonocyclic parent | phase-transfer catalyst |
| stilbene oxide stilbene oxide: inducer of epoxide hydratase; RN given refers to cpd without isomeric designation | 2.42 | 2 | 0 | epoxide | |
| molybdenum dioxide [no description available] | 2.02 | 1 | 0 | ||
| 1-deoxynojirimycin 1-deoxy-nojirimycin: structure in first source. duvoglustat : An optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration. | 2.73 | 3 | 0 | 2-(hydroxymethyl)piperidine-3,4,5-triol; piperidine alkaloid | anti-HIV agent; anti-obesity agent; bacterial metabolite; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; hypoglycemic agent; plant metabolite |
| geosmin geosmin: earthy smelling cpd from sediment in Lake Biwa; structure. (-)-geosmin : The (-)-stereoisomer of geosmin, having 4S,4aS,8aR configuration. | 2.01 | 1 | 0 | geosmin | |
| iodine [no description available] | 7.51 | 67 | 0 | halide anion; monoatomic iodine | human metabolite |
| osmium tetroxide Osmium Tetroxide: (T-4)-Osmium oxide (OsO4). A highly toxic and volatile oxide of osmium used in industry as an oxidizing agent. It is also used as a histological fixative and stain and as a synovectomy agent in arthritic joints. Its vapor can cause eye, skin, and lung damage.. osmium tetroxide : An osmium coordination entity consisting of four oxygen atoms bound to a central osmium atom via covalent double bonds. | 3.98 | 13 | 0 | osmium coordination entity | fixative; histological dye; oxidising agent; poison |
| daunorubicin Daunorubicin: A very toxic anthracycline aminoglycoside antineoplastic isolated from Streptomyces peucetius and others, used in treatment of LEUKEMIA and other NEOPLASMS.. anthracycline : Anthracyclines are polyketides that have a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine.. daunorubicin : A natural product found in Actinomadura roseola. | 2.38 | 2 | 0 | aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones | antineoplastic agent; bacterial metabolite |
| razoxane Razoxane: An antimitotic agent with immunosuppressive properties. | 2.39 | 2 | 0 | N-alkylpiperazine | |
| phosphotyrosine Phosphotyrosine: An amino acid that occurs in endogenous proteins. Tyrosine phosphorylation and dephosphorylation plays a role in cellular signal transduction and possibly in cell growth control and carcinogenesis.. O(4)-phospho-L-tyrosine : A non-proteinogenic L-alpha-amino acid that is L-tyrosine phosphorylated at the phenolic hydroxy group. | 2.02 | 1 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid; O(4)-phosphotyrosine | Escherichia coli metabolite; immunogen |
| mercuric oxide mercuric oxide: RN given refers to cpd with MF of Hg-O | 2 | 1 | 0 | ||
| triethyl phosphite triethyl phosphite: RN given refers to parent cpd; structure | 7.03 | 1 | 0 | ||
| tri-n-butylborane [no description available] | 2 | 1 | 0 | ||
| phenylglycidyl ether phenylglycidyl ether: structure | 1.98 | 1 | 0 | aromatic ether | |
| 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. | 10.3 | 156 | 0 | benzenes; phenyl acetates | |
| phenoxyethanol phenoxyethanol: structure. 2-phenoxyethanol : An aromatic ether that is phenol substituted on oxygen by a 2-hydroxyethyl group. | 1.92 | 1 | 0 | aromatic ether; glycol ether; primary alcohol | antiinfective agent; central nervous system depressant |
| cetylpyridinium chloride anhydrous tserigel: according to first source contains polyvinylbutyral & cetylpyridinium chloride; UD only lists cetylpyridinium chloride as constituent. cetylpyridinium chloride : A pyridinium salt that has N-hexadecylpyridinium as the cation and chloride as the anion. It has antiseptic properties and is used in solutions or lozenges for the treatment of minor infections of the mouth and throat. | 2.11 | 1 | 0 | chloride salt; organic chloride salt | antiseptic drug; surfactant |
| 4-ethylphenol 4-ethylphenol: RN given refers to parent cpd. 4-ethylphenol : A member of the class of phenols carrying an ethyl substituent at position 4. | 2.31 | 1 | 0 | phenols | fungal xenobiotic metabolite |
| 4-anisaldehyde 4-anisaldehyde: RN given refers to cpd with specified locants for methoxy moieties; structure in Merck, 9th ed, #696. p-methoxybenzaldehyde : A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4. | 2.43 | 2 | 0 | benzaldehydes | bacterial metabolite; human urinary metabolite; insect repellent; plant metabolite |
| myrcene myrcene: structure in first source. beta-myrcene : A monoterpene that is octa-1,6-diene bearing methylene and methyl substituents at positions 3 and 7 respectively. | 7.16 | 104 | 0 | monoterpene | anabolic agent; anti-inflammatory agent; flavouring agent; fragrance; plant metabolite; volatile oil component |
| acetylacetone acetylacetone : A beta-diketone that is pentane in which the hydrogens at positions 2 and 4 are replaced by oxo groups. | 3.58 | 8 | 0 | beta-diketone | |
| pyrrolidine [no description available] | 5.17 | 14 | 0 | azacycloalkane; pyrrolidines; saturated organic heteromonocyclic parent | |
| dioctyl adipate [no description available] | 2.13 | 1 | 0 | carboxylic ester | |
| butyl acetate butyl acetate: structure. butyl acetate : The acetate ester of butanol. | 2.49 | 2 | 0 | acetate ester | metabolite |
| 1,4-dioxane 1,4-dioxane: dehydrating agent; polar solvent miscible both with water & most organic solvents. dioxane : Any member of the class of dioxanes that is a cyclohexane in which two carbon atoms are replaced by oxygen atoms.. 1,4-dioxane : A dioxane with oxygen atoms at positions 1 and 4. | 2.73 | 3 | 0 | dioxane; volatile organic compound | carcinogenic agent; metabolite; NMR chemical shift reference compound; non-polar solvent |
| isoamyl acetate isoamyl acetate: structure in Merck, 9th ed, #4958. isoamyl acetate : The acetate ester of isoamylol. | 2.13 | 1 | 0 | acetate ester | metabolite; Saccharomyces cerevisiae metabolite |
| nonanal nonanal : A saturated fatty aldehyde formally arising from reduction of the carboxy group of nonanoic acid. Metabolite observed in cancer metabolism. | 3.35 | 6 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | human metabolite; plant metabolite |
| tetradecanal tetradecanal : A long-chain fatty aldehyde that is tetradecane in which two hydrogens attached to a terminal carbon are replaced by an oxo group. It is found in coriander. | 2.1 | 1 | 0 | 2,3-saturated fatty aldehyde; long-chain fatty aldehyde | bacterial metabolite; plant metabolite |
| tris(2,3-dibromopropyl)phosphate tris(2,3-dibromopropyl)phosphate: flame retardant | 1.93 | 1 | 0 | trialkyl phosphate | |
| chloroprene Chloroprene: Toxic, possibly carcinogenic, monomer of neoprene, a synthetic rubber; causes damage to skin, lungs, CNS, kidneys, liver, blood cells and fetuses. Synonym: 2-chlorobutadiene. | 2.35 | 2 | 0 | chloroolefin | |
| tetrachloroethylene Tetrachloroethylene: A chlorinated hydrocarbon used as an industrial solvent and cooling liquid in electrical transformers. It is a potential carcinogen. | 2.38 | 2 | 0 | chlorocarbon; chloroethenes | nephrotoxic agent |
| dimethylacetamide hallucinogen : Drugs capable of inducing illusions, hallucinations, delusions, paranoid ideations and other alterations of mood and thinking.. N,N-dimethylacetamide : A member of the class of acetamides that is acetamide in which the hydrogens attached to the N atom have been replaced by two methyl groups respectively. Metabolite observed in cancer metabolism. | 2.03 | 1 | 0 | acetamides; monocarboxylic acid amide | human metabolite |
| n-chlorosuccinimide N-chlorosuccinimide : A five-membered cyclic dicarboximide compound having a chloro substituent on the nitrogen atom. | 7.41 | 1 | 0 | dicarboximide; pyrrolidinone | |
| fanft FANFT: A potent nitrofuran derivative tumor initiator. It causes bladder tumors in all animals studied and is mutagenic to many bacteria. | 1.97 | 1 | 0 | ||
| aluminum oxide hydroxide aluminum oxide hydroxide: RN given refers to Al2O3.xH2O | 2.11 | 1 | 0 | aluminium hydroxides; aluminium oxides | |
| 3-butenoic acid but-3-enoic acid : That isomer of butenoic acid having the double bond at position C-3. | 3.06 | 4 | 0 | butenoic acid | |
| glutamic acid Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.. glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2. | 3.15 | 5 | 0 | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
| torpedo Torpedo: A genus of the Torpedinidae family consisting of several species. Members of this family have powerful electric organs and are commonly called electric rays. | 2.03 | 1 | 0 | ||
| sodium azide Sodium Azide: A cytochrome oxidase inhibitor which is a nitridizing agent and an inhibitor of terminal oxidation. (From Merck Index, 12th ed). sodium azide : The sodium salt of hydrogen azide (hydrazoic acid). | 2.69 | 3 | 0 | inorganic sodium salt | antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen |
| azides Azides: Organic or inorganic compounds that contain the -N3 group.. azide : Any nitrogen molecular entity containing the group -N3. | 9.02 | 98 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
| vanadyl sulfate [no description available] | 2.11 | 1 | 0 | metal sulfate; vanadium coordination entity | |
| benthiocarb Saturn: The sixth planet in order from the sun. It is one of the five outer planets of the solar system. Its twelve natural satellites include Phoebe and Titan. | 2.48 | 2 | 0 | monochlorobenzenes; monothiocarbamic ester | |
| 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). | 6.04 | 35 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
| etoposide [no description available] | 2.9 | 4 | 0 | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor |
| substance p [no description available] | 2.01 | 1 | 0 | peptide | neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent |
| ribavirin Rebetron: Rebetron is tradename | 2.43 | 2 | 0 | 1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide | anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| anft ANFT: RN given refers to unlabeled cpd | 1.97 | 1 | 0 | ||
| methyldopa Methyldopa: An alpha-2 adrenergic agonist that has both central and peripheral nervous system effects. Its primary clinical use is as an antihypertensive agent.. alpha-methyl-L-dopa : A derivative of L-tyrosine having a methyl group at the alpha-position and an additional hydroxy group at the 3-position on the phenyl ring. | 1.95 | 1 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent |
| sq-11725 Nadolol: A non-selective beta-adrenergic antagonist with a long half-life, used in cardiovascular disease to treat arrhythmias, angina pectoris, and hypertension. Nadolol is also used for MIGRAINE DISORDERS and for tremor.. nadolol : Nadolol is a diastereoisomeric mixture consisting of equimolar amounts of the four possible 2,3-cis-isomers of 5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol. | 2.02 | 1 | 0 | ||
| 2,3,7,8-tetrabromodibenzo-4-dioxin 2,3,7,8-tetrabromodibenzo-4-dioxin: structure given in first source. 2,3,7,8-tetrabromodibenzodioxine : An organobromine compound that is dibenzodioxine carrying four bromo substituents at positions 2, 3, 7 and 8. | 2.04 | 1 | 0 | dibenzodioxine; organobromine compound | |
| ng-nitroarginine methyl ester NG-Nitroarginine Methyl Ester: A non-selective inhibitor of nitric oxide synthase. It has been used experimentally to induce hypertension. | 2.44 | 2 | 0 | alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
| permethrin hemoglobin Atlanta-Coventry: Leu replaced by Pro at beta75 and Leu deleted at beta141 | 1.96 | 1 | 0 | cyclopropanecarboxylate ester; cyclopropanes | agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide |
| chlorodiphenyl (54% chlorine) Chlorodiphenyl (54% Chlorine): A mixture of polychlorinated biphenyls that induces hepatic microsomal UDP-glucuronyl transferase activity towards thyroxine.. Aroclor 1254 : A mixture of polychlorobiphenyls of unspecified composition, containing 54% chlorine (X = Cl or H). | 1.96 | 1 | 0 | ||
| 6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid [no description available] | 2.17 | 1 | 0 | chromanol; monocarboxylic acid; phenols | antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor |
| desogestrel Desogestrel: A synthetic progestational hormone used often as the progestogenic component of combined oral contraceptive agents (ORAL CONTRACEPTIVES, COMBINED). | 1.99 | 1 | 0 | 17beta-hydroxy steroid; terminal acetylenic compound | contraceptive drug; progestin; synthetic oral contraceptive |
| indacrinone indacrinone: polyvalent saluretic; RN given refers to parent cpd without isomeric designation; structure | 2.74 | 3 | 0 | ||
| laurocapram laurocapram: enhances percutaneous absorption of different chemicals; structure given in first source | 2.08 | 1 | 0 | ||
| paroxetine Paroxetine: A serotonin uptake inhibitor that is effective in the treatment of depression.. paroxetine : A benzodioxole that consists of piperidine bearing 1,3-benzodioxol-5-yloxy)methyl and 4-fluorophenyl substituents at positions 3 and 4 respectively; the (3S,4R)-diastereomer. Highly potent and selective 5-HT uptake inhibitor that binds with high affinity to the serotonin transporter (Ki = 0.05 nM). Ki values are 1.1, 350 and 1100 nM for inhibition of [3H]-5-HT, [3H]-l-NA and [3H]-DA uptake respectively. Displays minimal affinity for alpha1-, alpha2- or beta-adrenoceptors, 5-HT2A, 5-HT1A, D2 or H1 receptors at concentrations below 1000 nM, however displays weak affinity for muscarinic ACh receptors (Ki = 42 nM). Antidepressant and anxiolytic in vivo. | 7.44 | 2 | 0 | aromatic ether; benzodioxoles; organofluorine compound; piperidines | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
| atracurium Atracurium: A non-depolarizing neuromuscular blocking agent with short duration of action. Its lack of significant cardiovascular effects and its lack of dependence on good kidney function for elimination provide clinical advantage over alternate non-depolarizing neuromuscular blocking agents.. atracurium : A diester compound consisting of pentane-1,5-diol with both hydroxyls bearing 3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium-2(1H)-yl]propanoyl groups. | 2.97 | 1 | 0 | diester; quaternary ammonium ion | muscle relaxant; nicotinic antagonist |
| colforsin Colforsin: Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant COLEUS FORSKOHLII. Has antihypertensive, positive inotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland. | 2.31 | 1 | 0 | acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol | adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist |
| swainsonine Swainsonine: An indolizidine alkaloid from the plant Swainsona canescens that is a potent alpha-mannosidase inhibitor. Swainsonine also exhibits antimetastatic, antiproliferative, and immunomodulatory activity.. swainsonine : An indolizidine alkaloid isolated from the plant Swainsona canescens with three hydroxy substituents at positions 1, 2 and 8. | 7.79 | 3 | 0 | indolizidine alkaloid | antineoplastic agent; EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor; immunological adjuvant; plant metabolite |
| 1-isopropylhydrazine 1-isopropylhydrazine: RN given refers to parent cpd | 1.96 | 1 | 0 | ||
| lovastatin Lovastatin: A fungal metabolite isolated from cultures of Aspergillus terreus. The compound is a potent anticholesteremic agent. It inhibits 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It also stimulates the production of low-density lipoprotein receptors in the liver.. lovastatin : A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom). | 2.41 | 2 | 0 | delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug |
| tolrestat tolrestat: RN & structure given in first source | 2 | 1 | 0 | naphthalenes | EC 1.1.1.21 (aldehyde reductase) inhibitor |
| 2-amino-3-methylimidazo(4,5-f)quinoline 2-amino-3-methylimidazo(4,5-f)quinoline: mutagen found in broiled food; RN given refers to parent cpd; structure given in first source; frequently abbreviated as IQ in the literature. 3-methyl-3H-imidazo[4,5-f]quinolin-2-amine : An imidazoquinoline that is 3H-imidazo[4,5-f]quinoline substituted by a methyl group at position 3 and an amino group at position 2. | 3.07 | 1 | 0 | imidazoquinoline | carcinogenic agent |
| dazmegrel [no description available] | 2 | 1 | 0 | ||
| 3-chloro-4-(dichloromethyl)-5-hydroxy-2(5h)-furanone 3-chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone: structure given in first source | 2.7 | 3 | 0 | butenolide | |
| simvastatin Simvastatin: A derivative of LOVASTATIN and potent competitive inhibitor of 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It may also interfere with steroid hormone production. Due to the induction of hepatic LDL RECEPTORS, it increases breakdown of LDL CHOLESTEROL.. simvastatin : A member of the class of hexahydronaphthalenes that is lovastatin in which the 2-methylbutyrate ester moiety has been replaced by a 2,2-dimethylbutyrate ester group. It is used as a cholesterol-lowering and anti-cardiovascular disease drug. | 2.05 | 1 | 0 | delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic) | EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug |
| alpidem [no description available] | 7.07 | 1 | 0 | imidazoles | |
| raloxifene hydrochloride Raloxifene Hydrochloride: A second generation selective estrogen receptor modulator (SERM) used to prevent osteoporosis in postmenopausal women. It has estrogen agonist effects on bone and cholesterol metabolism but behaves as a complete estrogen antagonist on mammary gland and uterine tissue.. raloxifene hydrochloride : A hydrochloride salt resulting from the reaction of equimolar amounts of raloxifene and hydrogen chloride. | 2.01 | 1 | 0 | hydrochloride | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
| flavone acetic acid flavone acetic acid: structure given in first source | 1.97 | 1 | 0 | ||
| clopidogrel Clopidogrel: A ticlopidine analog and platelet purinergic P2Y receptor antagonist that inhibits adenosine diphosphate-mediated PLATELET AGGREGATION. It is used to prevent THROMBOEMBOLISM in patients with ARTERIAL OCCLUSIVE DISEASES; MYOCARDIAL INFARCTION; STROKE; or ATRIAL FIBRILLATION.. clopidogrel : A thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group, the methylene hydrogen of which is replaced by a methoxycarbonyl group (the S enantiomer). A P2Y12 receptor antagonist, it is used to inhibit blood clots and prevent heart attacks. | 2.41 | 1 | 0 | methyl ester; monochlorobenzenes; thienopyridine | anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor |
| cidofovir anhydrous Cidofovir: An acyclic nucleoside phosphonate that acts as a competitive inhibitor of viral DNA polymerases. It is used in the treatment of RETINITIS caused by CYTOMEGALOVIRUS INFECTIONS and may also be useful for treating HERPESVIRUS INFECTIONS.. cidofovir anhydrous : Cytosine substituted at the 1 position by a 3-hydroxy-2-(phosphonomethoxy)propyl group (S configuration). A nucleoside analogue, it is an injectable antiviral used for the treatment of cytomegalovirus (CMV) retinitis in AIDS patients. | 2.15 | 1 | 0 | phosphonic acids; pyrimidone | anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent |
| tiagabine Tiagabine: A nipecotic acid derivative that acts as a GABA uptake inhibitor and anticonvulsant agent. It is used in the treatment of EPILEPSY, for refractory PARTIAL SEIZURES.. tiagabine : A piperidinemonocarboxylic acid that is (R)-nipecotic acid in which the hydrogen attached to the nitrogen has been replaced by a 1,1-bis(3-methyl-2-thienyl)but-1-en-4-yl group. A GABA reuptake inhibitor, it is used (generally as the hydrochloride salt) for the treatment of epilepsy. | 2.51 | 2 | 0 | beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes | anticonvulsant; GABA reuptake inhibitor |
| ibutilide ibutilide: RN & structure in first source; RN refers to the fumarate salt | 2.21 | 1 | 0 | benzenes; organic amino compound | |
| adenosine quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit | 5.53 | 23 | 0 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
| n-butyllithium [no description available] | 2.97 | 4 | 0 | ||
| perfluoroisobutylene [no description available] | 1.95 | 1 | 0 | ||
| myrtenal myrtenal: RN refers to cpd without isomeric designation; structure given in first source | 2.05 | 1 | 0 | ||
| 4-pentenoic acid 4-pentenoic acid: inhibitor of fatty acid oxidation; RN given refers to parent cpd. pent-4-enoic acid : A pentenoic acid having the double bond at position 4. | 2.98 | 4 | 0 | pentenoic acid | |
| trichloroacetamide [no description available] | 2.48 | 2 | 0 | ||
| sudan black b Sudan black B : A member of the class of perimidines that is 2,2-dimethyl-2,3-dihydro-1H-perimidine carrying a [4-(phenyldiazenyl)naphthalen-1-yl]diazenyl substituent at position 6. A fat-soluble dye predominantly used for demonstrating triglycerides in frozen sections and for staining of protein bound lipids in paraffin sections. | 1.92 | 1 | 0 | azobenzenes; bis(azo) compound; perimidines | histological dye |
| nitrogen trioxide [no description available] | 2.97 | 4 | 0 | nitrogen oxide | |
| 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. | 3.84 | 3 | 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 |
| florisil Florisil: hard, porous, granular substance used in vitamin analysis, chromatography, & antibiotic processing | 2.02 | 1 | 0 | ||
| ruthenium chloride (rucl3) ruthenium chloride: RN given refers to unlabeled cpd | 2.96 | 4 | 0 | ||
| edda EDDA: RN given refers to parent cpd. ethylenediaminediacetic acid : An ethylenediamine derivative in which two of the four amine protons of ethylenediamine are replaced by carboxymethyl groups. | 2.03 | 1 | 0 | amino dicarboxylic acid; ethylenediamine derivative; glycine derivative; polyamino carboxylic acid | bacterial xenobiotic metabolite; chelator |
| tantalum oxide tantalum oxide: RN given refers to cpd with unknown MF; used for surgical implants | 2.05 | 1 | 0 | ||
| 1,3-pentadiene 1,3-pentadiene: a linear 5-carbon alkene; RN given refers to cpd with unspecified isomeric designation. (E)-1,3-pentadiene : An alkadiene consisting of pentane with the two double bonds located at positions 1 and 3. | 2.15 | 1 | 0 | alkadiene | |
| scarlet red Scarlet Red: structure. Sudan IV : A bis(azo) compound that is 2-naphthol substituted at position 1 by a {2-methyl-4-[(2-methylphenyl)diazenyl]phenyl}diazenyl group. A fat-soluble dye predominantly used for demonstrating triglycerides in frozen sections, but which may also stain some protein bound lipids in paraffin sections. | 1.92 | 1 | 0 | azobenzenes; bis(azo) compound; naphthols | carcinogenic agent; fluorochrome; histological dye |
| diethyl tartrate diethyl tartrate: RN given refers to R-(R*,R*)-isomer; RN for cpd without isomeric designation not avail 7/90 | 2.47 | 2 | 0 | 3-hydroxy carboxylic acid | |
| acridine orange Acridine Orange: A cationic cytochemical stain specific for cell nuclei, especially DNA. It is used as a supravital stain and in fluorescence cytochemistry. It may cause mutations in microorganisms.. acridine orange : Fluorescent dye useful for cell cycle determination. It is cell-permeable, and interacts with DNA and RNA by intercalation or electrostatic attractions respectively.. acridine orange free base : A member of the class of aminoacridines that is acridine carrying two dimethylamino substituents at positions 3 and 6. The hydrochloride salt is the fluorescent dye 'acridine orange', used for cell cycle determination. | 1.98 | 1 | 0 | aminoacridines; aromatic amine; tertiary amino compound | fluorochrome; histological dye |
| ketoisophorone ketoisophorone: structure in first source | 2.1 | 1 | 0 | cyclohexenones | |
| 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. | 5.71 | 25 | 0 | one-carbon compound; perfluoroalkanesulfonic acid | |
| isothiocyanic acid [no description available] | 1.98 | 1 | 0 | hydracid; one-carbon compound | |
| cuprous chloride cuprous chloride: RN given refers to unlabeled cpd. copper(I) chloride : An inorganic chloride of copper in which the metal is in the +1 oxidation state. | 2.73 | 3 | 0 | copper molecular entity; inorganic chloride | agrochemical; molluscicide |
| potassium phosphate potassium phosphate: used in dental materials and to treat hypophosphatemia; RN given refers to cpd with unspecified MF. tripotassium phosphate : An inorganic potassium salt that is the tripotassium salt of phosphoric acid. | 2.02 | 1 | 0 | inorganic phosphate salt; inorganic potassium salt | |
| 2-butene 2-butene: RN given refers to cpd without isomeric designation | 4.73 | 28 | 0 | but-2-ene | |
| styromal Styromal: RN given refers to parent cpd | 2.02 | 1 | 0 | ||
| disparlure disparlure: RN given refers to cpd without isomeric designation | 2.71 | 3 | 0 | epoxide | |
| cisatracurium cisatracurium: RN refers to (1R-(1alpha,2alpha(1'R*,2'R*)))-isomer. cisatracurium : A diester that is the (1R,1'R,2R,2'R)-diastereoisomer of atracurium, a quaternary ammonium ion consisting of pentane-1,5-diol with both hydroxy functions bearing 3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium-2(1H)-yl]propanoyl groups. The active species in the skeletal muscle relaxant cisatracurium besylate. | 2.97 | 1 | 0 | diester; quaternary ammonium ion | muscle relaxant; nicotinic antagonist |
| venlafaxine hydrochloride Venlafaxine Hydrochloride: A cyclohexanol and phenylethylamine derivative that functions as a SEROTONIN AND NORADRENALINE REUPTAKE INHIBITOR (SNRI) and is used as an ANTIDEPRESSIVE AGENT. | 2.11 | 1 | 0 | hydrochloride | |
| trazodone hydrochloride Triticum: A plant genus of the family POACEAE that is the source of EDIBLE GRAIN. A hybrid with rye (SECALE CEREALE) is called TRITICALE. The seed is ground into FLOUR and used to make BREAD, and is the source of WHEAT GERM AGGLUTININS.. trazodone hydrochloride : A hydrochloride salt prepared from equimolar amounts of trazodone and hydrogen chloride. | 3.1 | 5 | 0 | hydrochloride | adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
| febrifugine febrifugine: antimalarials; structure | 7.13 | 1 | 0 | quinazolines | |
| adamantylidene adamantylidene: structure | 2.42 | 2 | 0 | ||
| cyclohexyl methylphosphonofluoridate cyclohexyl methylphosphonofluoridate: acetylcholinesterase inhibitor | 2.07 | 1 | 0 | ||
| aluminum phosphate aluminum phosphate: gel used as immunologic adjuvent; RN given refers to Al salt | 2.05 | 1 | 0 | ||
| 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. | 3.96 | 13 | 0 | D-glucopyranose | epitope; mouse metabolite |
| mevastatin mevastatin: antifungal metabolite from Penicillium brevicopactum; potent inhibitory activity to sterol synthesis; structure. mevastatin : A carboxylic ester that is pravastatin that is lacking the allylic hydroxy group. A hydroxymethylglutaryl-CoA reductase inhibitor (statin) isolated from Penicillium citrinum and from Penicillium brevicompactum, its clinical use as a lipid-regulating drug ceased following reports of toxicity in animals. | 2 | 1 | 0 | 2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite |
| 3,4-dihydro-2(1h)-quinolinone 3,4-dihydro-2(1H)-quinolinone: structure in first source | 2.05 | 1 | 0 | quinolines | |
| cyclam cyclam: RN given refers to parent cpd; structure given in first source | 2.49 | 2 | 0 | azacycloalkane; crown amine; saturated organic heteromonocyclic parent | |
| thiazolyl blue thiazolyl blue: RN & II refers to bromide. 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide : The bromide salt of 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium. | 2.94 | 4 | 0 | organic bromide salt | colorimetric reagent; dye |
| betulinic acid [no description available] | 2.08 | 1 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite |
| oseltamivir Oseltamivir: An acetamido cyclohexene that is a structural homolog of SIALIC ACID and inhibits NEURAMINIDASE.. oseltamivir : A cyclohexenecarboxylate ester that is the ethyl ester of oseltamivir acid. An antiviral prodrug (it is hydrolysed to the active free carboxylic acid in the liver), it is used to slow the spread of influenza. | 2.17 | 1 | 0 | acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound | antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic |
| 5-methylcytosine 5-Methylcytosine: A methylated nucleotide base found in eukaryotic DNA. In ANIMALS, the DNA METHYLATION of CYTOSINE to form 5-methylcytosine is found primarily in the palindromic sequence CpG. In PLANTS, the methylated sequence is CpNpGp, where N can be any base.. 5-methylcytosine : A pyrimidine that is a derivative of cytosine, having a methyl group at the 5-position. | 1.99 | 1 | 0 | methylcytosine; pyrimidines | human metabolite |
| protolichesterinic acid protolichesterinic acid: HIV-1 reverse transcriptase inhibitor; isolated from the lichen Cetraria islandica; RN given refers to (2R-trans)-isomer; structure in first source | 2.1 | 1 | 0 | ||
| fluorexon fluorexon: structure | 2.15 | 1 | 0 | xanthene dye | fluorochrome |
| phosphoramidic acid phosphoramidic acid: urease inhibitor; RN given refers to parent cpd; structure; do not confuse with phosphoramidites, which are organophosphorus compounds | 7.78 | 3 | 0 | phosphoric acid derivative | |
| bathocuproine bathocuproine: reagent for copper; RN given refers to parent cpd | 2.02 | 1 | 0 | ||
| metaperiodate Periodic Acid: A strong oxidizing agent. | 5.28 | 13 | 0 | iodine oxoacid | |
| xanthyletine xanthyletine: structure | 2.11 | 1 | 0 | coumarins | |
| neocuproine neocuproine: Spectrophotometric determination of copper and ultramicro blood sugar determinations; structure; RN given refers to parent cpd. neocuproine : A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two methyl substituents at positions 2 and 9. | 2.08 | 1 | 0 | phenanthrolines | chelator; copper chelator |
| tris(2,2'-bipyridine)ruthenium(II) tris(2,2'-bipyridyl)ruthenium(II): a fluorescent dye; structure in first source | 3.6 | 2 | 0 | ruthenium coordination entity | fluorochrome |
| nojirimycin nojirimycin: from Streptomyces ficellus; RN given refers to parent cpd without isomeric designation | 2.01 | 1 | 0 | amino monosaccharide; hydroxypiperidine | |
| trimethylsilyl trifluoromethanesulfonate trimethylsilyl trifluoromethanesulfonate: deprotecting cpd for peptides | 2.03 | 1 | 0 | ||
| cephalosporin c cephalosporin C: RN given refers to parent cpd; structure in Merck, 9th ed, #1937. cephalosporin C : A cephalosporin antibiotic carrying a 3-acetoxymethyl substituent and a 6-oxo-N(6)-L-lysino group at position 7. | 4 | 4 | 0 | cephalosporin | fungal metabolite |
| cedrol cedrol: a cyclic terpenoid from cedarwood oil; 8-epicedrol is an epimer | 2.02 | 1 | 0 | cedrane sesquiterpenoid; tertiary alcohol | |
| trioctyl phosphine oxide [no description available] | 2.01 | 1 | 0 | ||
| oxalyl chloride [no description available] | 7.31 | 1 | 0 | ||
| dicarbine dicarbine: minor descriptor (77-84); on-line & Index Medicus search CARBOLINES (77-84); RN given refers to parent cpd without isomeric designation | 2.1 | 1 | 0 | ||
| naphthosultone naphthosultone: derivatives of 1,8-naphtholsulfonic acid | 2.13 | 1 | 0 | ||
| raxofelast Raxofelast: prodrug of IRFI-005 | 1.99 | 1 | 0 | ||
| boron nitride [no description available] | 2.08 | 1 | 0 | nitride | |
| nitrogen pentoxide nitrogen pentoxide: structure | 2.03 | 1 | 0 | nitrogen oxide | |
| zinc iodide zinc iodide: used with osmium in stains; RN given refers to parent cpd | 2.11 | 1 | 0 | ||
| divinyl benzene [no description available] | 3.52 | 2 | 0 | styrenes | |
| methylcyclopentadiene methylcyclopentadiene: RN given refers to cpd with unspecified methyl-locant | 1.96 | 1 | 0 | ||
| benzeneboronic acid [no description available] | 2.47 | 2 | 0 | boronic acids | |
| porphine porphine: structure given in first source | 2.21 | 1 | 0 | ||
| bromosuccinimide Bromosuccinimide: A brominating agent that replaces hydrogen atoms in benzylic or allylic positions. It is used in the oxidation of secondary alcohols to ketones and in controlled low-energy brominations. (From Miall's Dictionary of Chemistry, 5th ed; Hawley's Condensed Chemical Dictionary, 12th ed,). | 8.73 | 10 | 0 | dicarboximide; organobromine compound; pyrrolidinone | reagent |
| 1,7-phenanthroline [no description available] | 4.01 | 13 | 0 | phenanthroline | |
| anthranil 2,1-benzoxazole : A benzoxazole in which the benzene ring is fused to a 1,2-oxazole ring across positions 3 and 4. | 7.76 | 2 | 0 | 2,1-benzoxazoles; mancude organic heterobicyclic parent | |
| bicyclo(3.1.0)hexane [no description available] | 2.44 | 2 | 0 | ||
| 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. | 7.2 | 48 | 0 | 1,2,3-triazole | |
| 1h-tetrazole tetrazole : An azaarene that is a five-membered ring composed of 4 nitrogen and 1 carbon atom.. 2H-tetrazole : A tetrazole tautomer where the proton is located on the 2 position. | 2.77 | 3 | 0 | one-carbon compound; tetrazole | |
| diazobenzenesulfonic acid diazobenzenesulfonic acid: RN given refers to parent cpd; structure | 2.04 | 1 | 0 | ||
| trifluoroacetamide [no description available] | 2.95 | 4 | 0 | ||
| triflic anhydride triflic anhydride: structure in first source | 2.1 | 1 | 0 | organosulfonic anhydride | |
| 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. | 2.52 | 2 | 0 | isocoumarins | |
| 4-chromanone [no description available] | 2.08 | 1 | 0 | chromones | |
| 2-imidazoline 2-imidazoline: RN given refers to parent cpd; structure. imidazoline : An imidazoline compound having the double bond at the 2-position. | 2.1 | 1 | 0 | imidazolines | |
| seselin seselin: structure in first source | 2.11 | 1 | 0 | coumarins | metabolite |
| delphinidin Paraffin: A mixture of solid hydrocarbons obtained from petroleum. It has a wide range of uses including as a stiffening agent in ointments, as a lubricant, and as a topical anti-inflammatory. It is also commonly used as an embedding material in histology.. delphinidin chloride : An anthocyanidin chloride that has delphinidin as the cationic counterpart. | 6.1 | 23 | 0 | anthocyanidin chloride | |
| perillene perillene: structure in first source. perillene : A monoterpenoid that is furan in which the hydrogen at position 3 is replaced by a 4-methylpent-3-en-1-yl group. A defensive allomone of thrips that has a flowery, citrus-like flavour. | 2.04 | 1 | 0 | furans; monoterpenoid | fragrance; metabolite; semiochemical |
| alpha-methylene gamma-butyrolactone alpha-methylene gamma-butyrolactone : A butan-4-olide having a methylene group at the 3-position. | 2.03 | 1 | 0 | butan-4-olide | anti-ulcer drug; gastrointestinal drug |
| bromonitromethane bromonitromethane: structure in first source | 2.08 | 1 | 0 | ||
| sertraline Sertraline: A selective serotonin uptake inhibitor that is used in the treatment of depression.. sertraline : A member of the class of tetralins that is tetralin which is substituted at positions 1 and 4 by a methylamino and a 3,4-dichlorophenyl group, respectively (the S,S diastereoisomer). A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as the hydrochloride salt as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder. | 2.25 | 1 | 0 | dichlorobenzene; secondary amino compound; tetralins | antidepressant; serotonin uptake inhibitor |
| artemisinin (+)-artemisinin : A sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria. | 2.58 | 2 | 0 | organic peroxide; sesquiterpene lactone | antimalarial; plant metabolite |
| sulfaperine sulfaperine: structure. sulfaperin : A substituted aniline that is sulfanilamide in which on of the hydrogens of the sulfonamide group has been replaced by a 5-methylpyrimidin-2-yl group. | 3.69 | 2 | 0 | pyrimidines; substituted aniline; sulfonamide antibiotic | antibacterial drug |
| vinyl iodide [no description available] | 2.51 | 2 | 0 | monohaloethene | |
| trithiocarbonic acid trithiocarbonic acid: RN & Nl from 9th CI; cpd not in Chemline 8/83 | 2.05 | 1 | 0 | chalcocarbonic acid; one-carbon compound; thiocarbonyl compound | |
| glycine amide glycine amide: RN given refers to parent cpd | 2.02 | 1 | 0 | amino acid amide; glycine derivative | |
| glycine methyl ester glycine methyl ester: RN given refers to parent cpd. methyl glycinate : A glycinyl ester obtained by the formal condensation of the carboxy group of glycine with methanol. | 2.02 | 1 | 0 | glycinyl ester | metabolite |
| beta-hydroxyisovaleric acid 3-hydroxyisovaleric acid : A 3-hydroxy monocarboxylic acid that is isovaleric acid substituted at position 3 by a hydroxy group. Used as indicator of biotin deficiency. | 2.11 | 1 | 0 | 3-hydroxy monocarboxylic acid | human metabolite |
| 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. | 4.37 | 5 | 0 | quinolines | |
| benzocyclobutene benzocyclobutene : A carbobicyclic compound that is benzene fused to a cyclobutane ring. | 7.41 | 1 | 0 | carbobicyclic compound | metabolite |
| allyltrimethylsilane allyltrimethylsilane: used to make allyl C-glycosylic compounds | 2.98 | 4 | 0 | ||
| cyclopropylamine cyclopropylamine: RN given refers to parent cpd. cyclopropylamine : A primary aliphatic amine that consists of cyclopropane bearing a single amino substituent. | 2.82 | 3 | 0 | primary aliphatic amine | mouse metabolite |
| methyl syringate methyl syringate : A benzoate ester obtained by the formal condensation of carboxy group of syringic acid with methanol. | 2.48 | 2 | 0 | benzoate ester; dimethoxybenzene; phenols | plant metabolite |
| 3-chloroperbenzoic acid 3-chloroperbenzoic acid: oxidizing agent | 2.95 | 4 | 0 | monochlorobenzenes; peroxy acid | |
| dicyclopropylketone [no description available] | 1.99 | 1 | 0 | ||
| etidin etidin: structure; geroprotective agent | 2.11 | 1 | 0 | ||
| chlorosulfonyl isocyanate chlorosulfonyl isocyanate: structure in first source | 2.49 | 2 | 0 | ||
| 2,3-dihydrofuran dihydrofuran : Compounds containing a mono-unsaturated furan ring skeleton. | 2.46 | 2 | 0 | dihydrofuran | |
| tyloxapol tyloxapol: non-ionic detergent with surface-active properties; incompatible with metals; surfactant also used in inhalation therapy; N1 is from CA Vol 90 Form Index; N1 in Chemline is same as synonym 8. tyloxapol : A polymeric compound resulting from the reaction of 4-(1,1,3,3-tetramethylbutyl)phenol with formaldehyde to give a chain in which 6-8 molecules are linked together by CH2 groups ortho to the phenolic hydroxy groups, which have then undergone reaction with oxirane to give polyoxyethyleneoxy moieties, Ar(OCH2CH2)xOH, where x = 8-10. A nonionic liquic polymer, it inhibits lipoprotein lipase and hence clearance of triglyceride from the plasma, so is used to induce hyperlipidaemia in test animals. Also used as a surfactant to aid liquefaction and removal of mucus- and pus-containing bronchopulmonary secretions. | 2 | 1 | 0 | ||
| 2-phenylquinoline 2-phenylquinoline: structure in first source | 2.1 | 1 | 0 | ||
| oxetanocin a oxetanocin: from Bacillus megaterium NK84-0218; structure given in first source. oxetanocin A : A nucleoside analogue found in Bacillus megaterium in which an adenine moiety is attached to position 2 of a of an oxetane ring which is substituted at positions 3 and 4 by hydroxymethyl groups. | 2.07 | 1 | 0 | diol; nucleoside analogue; oxetanes; primary alcohol | anti-HIV agent; antibacterial agent; bacterial metabolite |
| 7-hydroxystaurosporine [no description available] | 1.99 | 1 | 0 | ||
| betulin betulin: isolated from various white birch bark (BETULA). betulin : A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents. | 2.57 | 2 | 0 | diol; pentacyclic triterpenoid | analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite |
| onychine onychine: from Cleistopholis patens; structure given in first source; RN from Chem Abst. Index Guide 1986 | 2.08 | 1 | 0 | ||
| nsc 361456 pyrazine-2-diazohydroxide: structure in first source | 1.97 | 1 | 0 | ||
| 2-chloranil [no description available] | 2.04 | 1 | 0 | ||
| nicosulfuron nicosulfuron: inhibits ACETOLACTATE SYNTHASE; Accent is DuPont brand name. nicosulfuron : A N-sulfonylurea that is 2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide substituted by a 4,6-dimethoxypyrimidin-2-yl group at the amino nitrogen. | 2.55 | 2 | 0 | N-sulfonylurea; pyridines; pyrimidines | environmental contaminant; herbicide; xenobiotic |
| furanomycin furanomycin: structure given in first source. furanomycin : A non-proteinogenic L-alpha-amino acid that is L-alanine in which the methyl group is replaced by a (2R,5S)-5-methyl-2,5-dihydrofuran-2-yl moiety. | 2.05 | 1 | 0 | dihydrofuran; non-proteinogenic L-alpha-amino acid | antibacterial agent; antimicrobial agent; bacterial metabolite |
| tetracyanoquinodimethane tetracyanoquinodimethane: structure. tetracyanoquinodimethane : A quinodimethane that is p-quinodimethane in which the methylidene hydrogens are replaced by cyano groups. | 2.06 | 1 | 0 | alicyclic compound; nitrile; quinodimethane | |
| 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. | 3.99 | 13 | 0 | carbamate ester; oxazolidinone | metabolite |
| ceric oxide ceric oxide: RN given refers to cpd with MF CeO2. ceric oxide : A metal oxide with formula CeO2. It is used for polishing glass, in coatings for infra-red filters to prevent reflection, and as an oxidant and catalyst in organic synthesis. | 2.73 | 3 | 0 | cerium molecular entity; metal oxide | |
| perfluorooctane sulfonic acid perfluorooctane-1-sulfonic acid : A perfluoroalkanesulfonic acid that is octane-1-sulfonic acid in which all seventeen of the hydrogens that are attached to carbons hvae been replaced by fluorines. | 2.03 | 1 | 0 | perfluoroalkanesulfonic acid | antilipemic drug; persistent organic pollutant |
| triphenylmethylphosphonium triphenylmethylphosphonium: RN given refers to parent cpd | 2.11 | 1 | 0 | ||
| atovaquone Atovaquone: A hydroxynaphthoquinone that has antimicrobial activity and is being used in antimalarial protocols.. atovaquone : A naphthoquinone compound having a 4-(4-chlorophenyl)cyclohexyl group at the 2-position and a hydroxy substituent at the 3-position. | 2.07 | 1 | 0 | hydroxy-1,2-naphthoquinone | |
| dicetylphosphate dicetylphosphate: RN given refers to parent cpd. dicetyl hydrogen phosphate : The dihexadecyl ester of phosphoric acid. | 1.98 | 1 | 0 | dialkyl phosphate | |
| cyclopropylcarbinol cyclopropylcarbinol: potential anti-amoebic agent; inhibits alcohol dehydrogenase 2 from Entamoeba histolytica | 2.06 | 1 | 0 | ||
| cyclobutanol cyclobutanol: structure in first source | 7.05 | 1 | 0 | ||
| hydroxylamine-o-sulfonic acid hydroxylamine-O-sulfonic acid: structure | 2.15 | 1 | 0 | ||
| 2-aminoindan [no description available] | 2.11 | 1 | 0 | ||
| adipostatin a adipostatin A: allergen from cashew nut shell oil; as adipostatin found as inhibitor of glycerol-3-phosphate dehydrogenase from Streptomyces; Also found in bees; do not confuse with cardol, RN 57486-25-6, MF unknown;. cardol : Resorcinol substituted at position 5 by a pentadecyl chain. | 1.93 | 1 | 0 | 5-alkylresorcinol | EC 1.1.5.3 (glycerol-3-phosphate dehydrogenase) inhibitor |
| hydroxyurea diethyl diallylmalonate: structure in first source | 3.14 | 5 | 0 | fatty acid ester | |
| phenyliodosodiacetate phenyliodosodiacetate: glycol-cleaving reagent used with amino alcohols in ring opening & Mannich base reactions; structure | 2.76 | 3 | 0 | ||
| 6-carboxyfluorescein 6-carboxyfluorescein: originally sold as 6-carboxyfluorescein, but commercial product is a mixture of two isomers; correct name is 5(6)-carboxyfluorescein | 2.03 | 1 | 0 | monocarboxylic acid | |
| 4-pyridylmethylamine 4-pyridylmethylamine: structure given in first source | 2.08 | 1 | 0 | ||
| iodomesitylene iodomesitylene: structure in first source | 2.46 | 2 | 0 | ||
| 3-methylthiopropylamine 3-methylthiopropylamine : A derivative of propylamine having a methylmercapto group at the 3-position. | 2.01 | 1 | 0 | organic sulfide; primary amino compound | |
| rosiglitazone [no description available] | 2.42 | 2 | 0 | aminopyridine; thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug |
| methyl mandelate methyl mandelate: RN given for (DL)-isomer; structure in first source | 2.17 | 1 | 0 | benzenes | |
| dichloroketene dichloroketene: structure given in first source | 2.07 | 1 | 0 | ||
| azidotrimethylsilane azidotrimethylsilane: structure in first source | 3.08 | 4 | 0 | ||
| quadricyclane quadricyclane: structure in first source | 2.02 | 1 | 0 | ||
| phenyl vinyl sulfone phenyl vinyl sulfone: RN and structure in first source | 2.02 | 1 | 0 | ||
| methylenecyclopropane methylenecyclopropane: structure in first source | 2.76 | 3 | 0 | ||
| trans-4-methylcyclohexylamine [no description available] | 2.02 | 1 | 0 | amine | |
| 1,8-diazabicyclo(5.4.0)undec-7-ene [no description available] | 2.75 | 3 | 0 | ||
| diethyl aminomalonate diethyl aminomalonate: RN given refers to parent cpd | 2.04 | 1 | 0 | alpha-amino acid ester | |
| 4-methylmorpholine n-oxide N-methylmorpholine N-oxide : A morpholine N-oxide resulting from the oxidation of the amino group of N-methylmorpholine. | 3.58 | 2 | 0 | morpholine N-oxide | |
| lithium bromide lithium bromide: denatures ribonuclease A; also sedative. lithium bromide : A lithium salt in which the counterion is bromide. The anhydrous salt forms cubic crystals similar to common salt. | 2.01 | 1 | 0 | bromide salt; lithium salt | |
| pentaerythritol tetra(3-mercaptopropionate) pentaerythritol tetra(3-mercaptopropionate): structure in first source | 2.63 | 2 | 0 | ||
| trimethylsilyl cyanide [no description available] | 2.1 | 1 | 0 | ||
| 3,4-dihydroxyphenylethanol 3,4-dihydroxyphenylethanol: serotonin metabolite; structure | 2.02 | 1 | 0 | catechols; primary alcohol | antineoplastic agent; antioxidant; metabolite |
| 1,5-cod 1,5-cyclooctadiene: used in production of Nylon | 2.74 | 3 | 0 | ||
| bromates Bromates: Negative ions or salts derived from bromic acid, HBrO3. | 2.25 | 1 | 0 | bromine oxoanion; monovalent inorganic anion | |
| trimethylsilyl iodide trimethylsilyl iodide: structure in first source | 2.11 | 1 | 0 | ||
| alpha-bergamotene alpha-bergamotene: RR (13434-59-4) refers to the (trans)-isomer. alpha-bergamotene : A sesquiterpene consisting of a bicyclo[3.1.1]hept-2-ene skeleton substituted at positions 2 and 6 by methyl groups and at position 6 by a 4-methylpent-3-en-1-yl group. | 2.17 | 1 | 0 | bridged compound; polycyclic olefin; sesquiterpene | plant metabolite; volatile oil component |
| o-(2,4-dinitrophenyl)hydroxylamine O-(2,4-dinitrophenyl)hydroxylamine: structure given in first source | 2.5 | 2 | 0 | ||
| coenzyme a [no description available] | 6.38 | 23 | 0 | adenosine 3',5'-bisphosphate | coenzyme; Escherichia coli metabolite; mouse metabolite |
| nicotine (S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum. | 3.05 | 5 | 0 | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic |
| fibrinogen Fibrinogen: Plasma glycoprotein clotted by thrombin, composed of a dimer of three non-identical pairs of polypeptide chains (alpha, beta, gamma) held together by disulfide bonds. Fibrinogen clotting is a sol-gel change involving complex molecular arrangements: whereas fibrinogen is cleaved by thrombin to form polypeptides A and B, the proteolytic action of other enzymes yields different fibrinogen degradation products.. D-iditol : The D-enantiomer of iditol. | 3.27 | 6 | 0 | iditol | fungal metabolite |
| hecogenin hecogenin: steroidal sapogenin which has been isolated from plants particularly from numerous Agave species; used in prep of steroidal hormones; structure; RN given refers to (3beta,5alpha,25R)-isomer | 2.01 | 1 | 0 | triterpenoid | |
| beta-eudesmol beta-eudesmol: found in Atractylodes and other plants; RN given refers to (2R-(2alpha,4aalpha,8abeta))-isomer. beta-eudesmol : A carbobicyclic compound that is trans-decalin substituted at positions 2, 4a, and 8 by 2-hydroxypropan-2-yl, methyl and methylidene groups, respectively (the 2R,4aR,8aS-diastereoisomer). | 2.13 | 1 | 0 | carbobicyclic compound; eudesmane sesquiterpenoid; tertiary alcohol | volatile oil component |
| lupinine lupinine: RN given refers to parent cpd(1R-trans)-isomer; structure | 2.02 | 1 | 0 | quinolizidine alkaloid | |
| homocysteine Homocysteine: A thiol-containing amino acid formed by a demethylation of METHIONINE.. homocysteine : A sulfur-containing amino acid consisting of a glycine core with a 2-mercaptoethyl side-chain.. L-homocysteine : A homocysteine that has L configuration. | 3.99 | 4 | 0 | amino acid zwitterion; homocysteine; serine family amino acid | fundamental metabolite; mouse metabolite |
| 1-cyano-2-hydroxy-3-butene [no description available] | 4.57 | 25 | 0 | secondary alcohol | |
| fosthiazate fosthiazate: structure in first source | 2.17 | 1 | 0 | organic phosphonate; organothiophosphate insecticide; phosphonic ester | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide |
| tylophorine tylophorine: phenanthroindolizidine alkaloid | 2.45 | 2 | 0 | organic heteropentacyclic compound; organonitrogen heterocyclic compound | |
| iodosobenzene iodosobenzene: oxygen donor | 3.27 | 6 | 0 | ||
| succinyl-coenzyme a [no description available] | 2.08 | 1 | 0 | omega-carboxyacyl-CoA | Escherichia coli metabolite; inhibitor; mouse metabolite |
| alpha-curcumene alpha-curcumene: active priniciple in essential oils of Curcuma xanthorrhiza. alpha-curcumene : A sesquiterpene that is 2-methyl-2-heptene in which one of the hydrogens at position 6 is substituted by a p-tolyl group. | 2.1 | 1 | 0 | sesquiterpene | |
| diploptene diploptene: biosynthesized in a cell-free system from Acetobacter pasteurianum in the presence of squalene. hop-22(29)-ene : A triterpene consisting of hopane having a C=C double bond at the 22(29)-position. | 2.02 | 1 | 0 | triterpene | |
| ipsdienol ipsdienol: isolated from Ips pini | 2.44 | 2 | 0 | ||
| gamma-tocopherol gamma-Tocopherol: A natural tocopherol with less antioxidant activity than ALPHA-TOCOPHEROL. It exhibits antioxidant activity by virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus. As in BETA-TOCOPHEROL, it also has three methyl groups on the 6-chromanol nucleus but at different sites.. gamma-tocopherol : A tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 7 and 8. It is found particularly in maize (corn) oil and soya bean (soybean) oils. | 2 | 1 | 0 | tocopherol; vitamin E | algal metabolite; food antioxidant; plant metabolite |
| propionyl-coenzyme a propionyl-coenzyme A: RN given refers to parent cpd | 2.08 | 1 | 0 | acyl-CoA | Escherichia coli metabolite; metabolite; mouse metabolite |
| alpha-eudesmol alpha-eudesmol: RN refers to (2alpha,4aalpha,8abeta)-isomer; from Juniperus virginiana; inhibits omega-agatoxin IVA-sensitive Ca2+ currents and synaptosomal Ca2+ uptake; structure in first source. alpha-eudesmol : A eudesmane sesquiterpenoid in which the eudesmane skeleton carries a hydroxy substituent at C-11 and has a double bond between C-3 and C-4. | 2.13 | 1 | 0 | eudesmane sesquiterpenoid; octahydronaphthalenes; tertiary alcohol | volatile oil component |
| triptycene triptycene: structure in first source | 2.31 | 1 | 0 | anthracenes | |
| nepetalactone nepetalactone: RN given for (4aS-(4aalpha,7alpha,7aalpha))-isomer; structure in first source. trans-cis-nepetalactone : A cyclopentapyran that is (4aS,7aS)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by an oxo group and at positions 4 and 7 by methyl groups, respectively (the 4aS,7S,7aS-diastereomer). An iridoid monoterpenoid isolated from several Nepeta plant species. It exhibits potent repellant activity against house dust mites and mosquitoes. | 2.02 | 1 | 0 | ||
| zingiberene zingiberene: in wild tomato; structure in first source. zingiberene : 2-Methylcyclohexa-1,3-diene in which a hydrogen at the 5 position is substituted (R configuration) by a 6-methyl-hept-5-en-2-yl group (S configuration). It is a sesquiterpene found in the dried rhizomes of Indonesian ginger, Zingiber officinale. | 2.08 | 1 | 0 | cyclohexadiene; sesquiterpene | |
| annatto annatto: coloring matter from seeds of Bixa orellana L., Bixaceae; contains bixin and pigments that give carotene reactions; induces hyperglycemia | 2.01 | 1 | 0 | ||
| firefly luciferin Firefly Luciferin: A benzothaizole which is oxidized by LUCIFERASES, FIREFLY to cause emission of light (LUMINESCENCE).. Photinus luciferin : A 1,3-thiazolemonocarboxylic acid consisting of 3,5-dihydrothiophene-4-carboxylic acid having a 6-hydroxybenzothiazol-2-yl group at the 2-position. | 2.41 | 1 | 0 | 1,3-thiazolemonocarboxylic acid; benzothiazoles; imidothioate | luciferin |
| perezone perezone: isolated from roots of Pereziae adnata; structure given in Merck Index | 3.18 | 1 | 0 | ||
| isopelletierine isopelletierine: RN given refers to cpd without isomeric designation; synonym pelletierine refers to (-)-isomer | 2.05 | 1 | 0 | citraconoyl group | |
| quebrachamine quebrachamine: an indole alkaloid; isolated from Aspidosperma tree; structure given in first source | 2.73 | 3 | 0 | alkaloid | |
| glycidyl nitrate glycidyl nitrate: a nitric oxide donor; structure in first source. peptidoglycan : A peptidoglycosaminoglycan formed by alternating residues of beta-(1->4)-linked N-acetylglucosamine and N-acetylmuramic acid {2-amino-3-O-[(S)-1-carboxyethyl]-2-deoxy-D-glucose} residues. Attached to the carboxy group of the muramic acid is a peptide chain of three to five amino acids. | 2.02 | 1 | 0 | ||
| di-tert-butylperoxy-3,3,5-trimethylcyclohexane peroxide di-tert-butylperoxy-3,3,5-trimethylcyclohexane peroxide: widely used as a source of free radicals in the hardening of unsaturated polyester resins and the polymerization of styrene; structure in second source | 2.08 | 1 | 0 | ||
| dehydroabietic acid dehydroabietic acid: major aquatic toxicant in effluent of pulp and paper mills. dehydroabietic acid : An abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group.. dehydroabietate : A monocarboxylic acid anion that is the conjugate base of dehydroabietic acid, obtained by deprotonation of the carboxy group. | 2.02 | 1 | 0 | abietane diterpenoid; carbotricyclic compound; monocarboxylic acid | allergen; 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. | 2.87 | 3 | 0 | pyrroline | |
| glucuronic acid Glucuronic Acid: A sugar acid formed by the oxidation of the C-6 carbon of GLUCOSE. In addition to being a key intermediate metabolite of the uronic acid pathway, glucuronic acid also plays a role in the detoxification of certain drugs and toxins by conjugating with them to form GLUCURONIDES.. D-glucuronic acid : The D-enantiomer of glucuronic acid.. D-glucopyranuronic acid : A D-glucuronic acid in cyclic pyranose form. | 2.04 | 1 | 0 | D-glucuronic acid | algal metabolite |
| allylbenzene 2',3'-epoxide allylbenzene 2',3'-epoxide: structure given in first source | 2.44 | 2 | 0 | ||
| benzyldihydronicotinamide benzyldihydronicotinamide: structure | 2.01 | 1 | 0 | ||
| allenolic acid allenolic acid: structure in first source | 2.44 | 2 | 0 | naphthols | |
| phencyclone phencyclone: structure in first source | 2.02 | 1 | 0 | cyclic ketone | |
| 1,3,4-oxadiazole 1,3,4-oxadiazole: structure in first source | 2.55 | 2 | 0 | ||
| tetrathiafulvalene tetrathiafulvalene: used in carbon paste amperometric enzyme electrode for the determination of glucose in flowing systems. tetrathiafulvalene : A member of the class of fulvalenes that is ethene substituted by 1,3-dithiol-2-ylidene groups at positions 1 and 2. | 3.19 | 1 | 0 | fulvalenes; organosulfur heterocyclic compound | |
| isosteviol isosteviol: an antihyperglycemic agent; obtained by acid hydrolysis of stevioside; was indexed to steviol 1985-2007 | 2.41 | 1 | 0 | diterpenoid | |
| 1,4-3,6-dianhydromannitol 1,4-3,6-dianhydromannitol: structure in first source | 2.1 | 1 | 0 | ||
| combretastatin combretastatin: cytotoxic principle from South African tree COMBRETUM caffrum; structure given in first source; acts at COLCHICINE site of TUBULIN | 2.47 | 2 | 0 | ||
| terphenyllin terphenyllin: novel p-terphenyl metabolite from Aspergillus candidus. terphenyllin : A para-terphenyl that is 1,1':4',1''-terphenyl substituted by methoxy groups at positions 3' and 6' and hydroxy groups at positions 2', 4 and 4''. It has been isolated from Aspergillus taichungensis. | 2.01 | 1 | 0 | dimethoxybenzene; para-terphenyl; phenols | Aspergillus metabolite; mycotoxin |
| hepsulfam hepsulfam: structure given in first source | 1.97 | 1 | 0 | ||
| aminomalonic acid aminomalonic acid: aspartase-ammonia ligase inhibitor. aminomalonic acid : An amino dicarboxylic acid that is malonic acid in which one of the methylene hydrogens has been replaced by an amino group. | 2.07 | 1 | 0 | amino dicarboxylic acid | Daphnia magna metabolite; human metabolite |
| obovatol obovatol: antineoplastic agent from Magnolis obovata; structure given in first source | 2.04 | 1 | 0 | ||
| ethyl magnesium bromide ethyl magnesium bromide: prepard from magnesium turnings & ethyl bromide | 2.02 | 1 | 0 | ||
| benzyloxyamine benzyloxyamine: RN given refers to parent cpd | 2.11 | 1 | 0 | ||
| lanthionine lanthionine: a thioether analogue of cystine; RN given refers to (DL)-isomer; structure; a component of lantibiotics (BACTERIOCINS). lanthionine : An alanine derivative in which two alanine residues are linked on their beta-carbons by a thioether linkage. | 2.03 | 1 | 0 | alanine derivative; non-proteinogenic alpha-amino acid; organic sulfide | bacterial metabolite |
| 4,8-dimethyl-1,3,7-nonatriene 4,8-dimethyl-1,3,7-nonatriene: structure in first source | 5.57 | 21 | 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. | 8.52 | 113 | 0 | cobalt group element atom; metal allergen | micronutrient |
| chlorates Chlorates: Inorganic salts of chloric acid that contain the ClO3- ion. | 1.94 | 1 | 0 | chlorine oxoanion; monovalent inorganic anion | |
| arginyl-glycyl-aspartic acid arginyl-glycyl-aspartic acid: amino acid sequence of basic unit of widespread cellular recognition system | 2.55 | 2 | 0 | oligopeptide | |
| vitamin b 6 Vitamin B 6: VITAMIN B 6 refers to several PICOLINES (especially PYRIDOXINE; PYRIDOXAL; & PYRIDOXAMINE) that are efficiently converted by the body to PYRIDOXAL PHOSPHATE which is a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, and aminolevulinic acid. During transamination of amino acids, pyridoxal phosphate is transiently converted into PYRIDOXAMINE phosphate. Although pyridoxine and Vitamin B 6 are still frequently used as synonyms, especially by medical researchers, this practice is erroneous and sometimes misleading (EE Snell; Ann NY Acad Sci, vol 585 pg 1, 1990). Most of vitamin B6 is eventually degraded to PYRIDOXIC ACID and excreted in the urine. | 2.07 | 1 | 0 | ||
| 1,4-dihydropyridine [no description available] | 2.78 | 3 | 0 | ||
| plicatic acid plicatic acid: major non-volatile fraction in red cedar dust; identified by inhalation challenge as allergen; RN given refers to (1S-(1 alpha,2 alpha,3 beta))-isomer | 2.05 | 1 | 0 | lignan | |
| sr141716 [no description available] | 2.1 | 1 | 0 | amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles | anti-obesity agent; appetite depressant; CB1 receptor antagonist |
| androsta-1,4,6-triene-3,17-dione androsta-1,4,6-triene-3,17-dione: blocks aromatization of testosterone to estradiol; aromatase antagonist. androsta-1,4,6-triene-3,17-dione : An androstanoid that is androsta-1,4,6-triene substituted by oxo groups at positions 3 and 17. | 2.11 | 1 | 0 | 17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; androstanoid | EC 1.14.14.14 (aromatase) inhibitor; human xenobiotic metabolite |
| hydroxymethyltrioxsalen [no description available] | 1.98 | 1 | 0 | ||
| cyanates Cyanates: Organic salts of cyanic acid containing the -OCN radical.. cyanates : Salts and esters of cyanic acid, HOC#N; compounds carrying the cyanate functional group -O-C#N.. isocyanates : Organonitrogen compounds that are derivatives of isocyanic acid; compounds containing the isocyanate functional group -N=C=O (as opposed to the cyanate group, -O-C#N). | 5.37 | 18 | 0 | ||
| (3h)2-carbomethoxy-3-(4-fluorophenyl)tropane (1R-(exo,exo))-3-(4-fluorophenyl)-8-methyl-8- azabicyclo(3.2.1)octane-2-carboxylic acid, methyl ester: RN given refers to (1R-(exo,exo))-isomer | 2.02 | 1 | 0 | ||
| s-(1,1,2,2-tetrafluoroethyl)cysteine S-(1,1,2,2-tetrafluoroethyl)cysteine: toxic to human proximal tubular cells | 2.01 | 1 | 0 | ||
| thiamethoxam Thiamethoxam: A nitro-oxazine and thiazole derivative that is used as a broad spectrum neonicotinoid insecticide.. thiamethoxam : An oxadiazane that is tetrahydro-N-nitro-4H-1,3,5-oxadiazin-4-imine bearing (2-chloro-1,3-thiazol-5-yl)methyl and methyl substituents at positions 3 and 5 respectively. | 2.6 | 1 | 0 | 1,3-thiazoles; 2-nitroguanidine derivative; organochlorine compound; oxadiazane | antifeedant; carcinogenic agent; environmental contaminant; neonicotinoid insectide; xenobiotic |
| tryptoline tryptoline: neurotoxic factor that may be involved in development of Parkinson's disease; enzymatic prep from human brain converts tryptamine to tryptoline; RN given refers to parent cpd; structure | 2.46 | 2 | 0 | beta-carbolines | |
| afdx 116 otenzepad: cardioselective muscarinic receptor antagonist; structure given in first source | 2.13 | 1 | 0 | benzodiazepine | |
| sr 95531 [no description available] | 2.13 | 1 | 0 | methoxybenzenes | |
| 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. | 10.09 | 13 | 0 | phosphite ion; trivalent inorganic anion | |
| 2-hydroxyethylvaline 2-hydroxyethylvaline: RN given refers to (DL)-isomer; RN for cpd without isomeric designation not available 11/88 | 1.97 | 1 | 0 | ||
| 2'-5'-oligoadenylate trimer 2',5'-oligoadenylate: inhibits protein synthesis in cell-free systems | 1.94 | 1 | 0 | ||
| solenopsin a Solenopsin A: structure | 2.02 | 1 | 0 | ||
| cafestol [no description available] | 2.1 | 1 | 0 | diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; plant metabolite |
| parthenolide [no description available] | 2.11 | 1 | 0 | germacranolide | |
| 1-hexadecyl-2-acetyl-glycero-3-phosphocholine Platelet Activating Factor: A phospholipid derivative formed by PLATELETS; BASOPHILS; NEUTROPHILS; MONOCYTES; and MACROPHAGES. It is a potent platelet aggregating agent and inducer of systemic anaphylactic symptoms, including HYPOTENSION; THROMBOCYTOPENIA; NEUTROPENIA; and BRONCHOCONSTRICTION.. 2-O-acetyl-1-O-hexadecyl-sn-glycero-3-phosphocholine : A 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine betaine which has hexadecyl as the alkyl group. PAF is a potent phospholipid activator and mediator of many leukocyte functions, including platelet aggregation, inflammation, and anaphylaxis. | 3.8 | 3 | 0 | 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine | antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent |
| deoxyglucose Deoxyglucose: 2-Deoxy-D-arabino-hexose. An antimetabolite of glucose with antiviral activity.. deoxyglucose : A deoxyhexose comprising glucose having at least one hydroxy group replaced by hydrogen. | 2 | 1 | 0 | ||
| titanium isopropoxide titanium(IV) isopropoxide : A titanium coordination entity consisting of a titanium(IV) cation with four propan-2-olate anions as counterions. | 2.15 | 1 | 0 | ||
| glycofurol [no description available] | 2.03 | 1 | 0 | ||
| terpinyl acetate terpinyl acetate: ingredient in perfume of spray starch causing contact urticaria | 2.49 | 2 | 0 | p-menthane monoterpenoid | |
| valerates Valerates: Derivatives of valeric acid, including its salts and esters. | 4.84 | 11 | 0 | short-chain fatty acid anion; straight-chain saturated fatty acid anion | plant metabolite |
| trans-1,2-dihydro-1,2-naphthalenediol trans-1,2-dihydro-1,2-naphthalenediol: structure in first source. (1S,2S)-1,2-dihydronaphthalene-1,2-diol : The (1S,2S)-isomer of trans-1,2-dihydronaphthalene-1,2-diol. | 2.52 | 2 | 0 | trans-1,2-dihydronaphthalene-1,2-diol | |
| aporphine aporphine: RN given refers to parent cpd without isomeric designation. aporphine : An isoquinoline alkaloid that is the N-methyl derivative of 5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline. | 2.1 | 1 | 0 | aporphine alkaloid; isoquinoline alkaloid fundamental parent; tertiary amino compound | |
| tanshinone tanshinone: from root of Salvia miltiorrhiza Bunge; RN given refers to tanshinone I; cardioprotective agent and neuroprotective agent | 6.11 | 20 | 0 | abietane diterpenoid | anticoronaviral agent |
| pumiliotoxin c pumiliotoxin C: isolated from skin of Dendrobates pumilio (frog); see also records for pumiliotoxin A, pumiliotoxin B & pumiliotoxins | 2.43 | 2 | 0 | ||
| dynemicin a [no description available] | 2.9 | 4 | 0 | ||
| brassinolide brassinolide: plant growth promoting steroidal lactone from rape pollen; RN given refers to (2alpha,3alpha,5alpha,22R,23R,24S)-isomer; structure in first source | 2.05 | 1 | 0 | 22-hydroxy steroid; 23-hydroxy steroid; 2alpha-hydroxy steroid; 3alpha-hydroxy steroid; brassinosteroid | plant growth stimulator; plant hormone |
| dimethyldioxirane dimethyldioxirane: structure given in first source; powerful oxidizing agent | 7 | 1 | 0 | ||
| gallium nitride [no description available] | 2.46 | 2 | 0 | ||
| ruthenium tetraoxide ruthenium tetraoxide: RN given refers to unlabeled cpd with MF of Ru-O4 | 4.06 | 4 | 0 | ||
| caprylates Caprylates: Derivatives of caprylic acid. Included under this heading are a broad variety of acid forms, salts, esters, and amides that contain a carboxy terminated eight carbon aliphatic structure.. octanoate : A straight-chain saturated fatty acid anion that is the conjugate base of octanoic acid (caprylic acid); believed to block adipogenesis. | 3.12 | 5 | 0 | fatty acid anion 8:0; straight-chain saturated fatty acid anion | human metabolite; Saccharomyces cerevisiae metabolite |
| lexitropsin lexitropsin: structure given in first source; information reading oligopeptide | 2.03 | 1 | 0 | ||
| s-trichlorovinyl-n-acetylcysteine [no description available] | 1.97 | 1 | 0 | N-acyl-L-amino acid | |
| valdecoxib [no description available] | 2.52 | 2 | 0 | isoxazoles; sulfonamide | antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
| 4,4-dimethyloxazoline 4,4-dimethyl-2-oxazoline: structure in first source | 2.4 | 2 | 0 | ||
| 6-deoxyerythronolide b 6-deoxyerythronolide B: Streptomyces erythreus metabolite; presumed intermediate in biosynthesis of erythromycins; structure given in first source | 2.06 | 1 | 0 | erythronolide | |
| alliin alliin: nutritional supplement in diet; possible therapeutic use in anemia and splenic hypertrophy; structure. alliin : An L-alanine derivative in which one of the methyl hydrogens of L-alanine has been replaced by an (S)-allylsulfinyl group. | 2.05 | 1 | 0 | alpha-amino acid | |
| 1,2-dioxetane [no description available] | 2.02 | 1 | 0 | ||
| tenax tenax: porous polymer based on 2,6-diphenyl-p-phenylene oxide; used for trapping volatile organic compounds | 2.01 | 1 | 0 | ||
| deoxyfuconojirimycin deoxyfuconojirimycin: structure given in first source. deoxyfuconojirimycin : A hydroxypiperidine in which the three hydroxy substituents are located at positions 3, 4 and 5 together with an additional methyl substituent at position 2. | 2.07 | 1 | 0 | hydroxypiperidine; triol | fungal metabolite |
| astragaloside a [no description available] | 2.53 | 2 | 0 | ||
| imidodiphosphonic acid imidodiphosphonic acid: in combination with technetrium, a superior radiopharmaceutical for myocardial infarct imaging; RN given refers to parent cpd | 2.25 | 1 | 0 | ||
| benzyne benzyne: structure in first source. benzyne : 1,2-didehydrobenzene and its derivatives formed by substitution. | 3.01 | 4 | 0 | aryne; benzyne | |
| phenoxy radical phenoxy radical : An organic radical generated from phenol. | 2.52 | 2 | 0 | organic radical | |
| stannane [no description available] | 8.43 | 7 | 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). | 9.39 | 143 | 0 | carbene; methanediyl | |
| cyclopropene cyclopropene: structure. cyclopropene : A cycloalkene that consists of cyclopropane having a double bond in the ring. The parent of the class of cyclopropenes. | 7.96 | 4 | 0 | cycloalkene; cyclopropenes | |
| diazene [no description available] | 2.45 | 2 | 0 | nitrogen hydride | |
| phosphoramide phosphoramide: RN given refers to triamide. phosphoramide : A compound in which one or more of the OH groups of phosphoric acid have been replaced with an amino or substituted amino group. The term is commonly confined to the phosphoric triamides, P(=O)(NR2)3, since replacement of one or two OH groups produces phosphoramidic acids: P(=O)(OH)(NR2)2 , P(=O)(OH)2(NR2). | 2.48 | 2 | 0 | ||
| disiloxane [no description available] | 2.08 | 1 | 0 | siloxane | |
| hypoiodous acid [no description available] | 2.98 | 4 | 0 | iodine oxoacid | |
| perchlorate perchlorate: the explosive component of rocket fuel; an environmental contaminant that disrupts THYROID HORMONES. perchlorate : A monovalent inorganic anion obtained by deprotonation of perchloric acid. | 2.05 | 1 | 0 | chlorine oxoanion; monovalent inorganic anion | |
| cyclopropanol [no description available] | 2.76 | 3 | 0 | aliphatic alcohol; cyclopropanes | |
| diphenylphosphorazidate diphenylphosphorazidate: reagent for racemization-free peptide synthesis; structure | 2.04 | 1 | 0 | ||
| diethylaminosulfur trifluoride diethylaminosulfur trifluoride: fluorinating agent for carbohydrates | 1.97 | 1 | 0 | ||
| fullerene c60 Fullerenes: A polyhedral CARBON structure composed of around 60-80 carbon atoms in pentagon and hexagon configuration. They are named after Buckminster Fuller because of structural resemblance to geodesic domes. Fullerenes can be made in high temperature such as arc discharge in an inert atmosphere.. fullerene : A compound composed solely of an even number of carbon atoms, which form a cage-like fused-ring polycyclic system with twelve five-membered rings and the rest six-membered rings. The term has been broadened to include any closed cage structure consisting entirely of three-coordinate carbon atoms. | 3.34 | 6 | 0 | fullerene | geroprotector |
| imatinib mesylate imatinib methanesulfonate : A methanesulfonate (mesylate) salt that is the monomesylate salt of imatinib. Used for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours. | 2.13 | 1 | 0 | methanesulfonate salt | anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
| tazobactam Tazobactam: A penicillanic acid and sulfone derivative and potent BETA-LACTAMASE inhibitor that enhances the activity of other anti-bacterial agents against beta-lactamase producing bacteria.. tazobactam : A member of the class of penicillanic acids that is sulbactam in which one of the exocyclic methyl hydrogens is replaced by a 1,2,3-triazol-1-yl group; used (in the form of its sodium salt) in combination with ceftolozane sulfate for treatment of complicated intra-abdominal infections and complicated urinary tract infections. | 2 | 1 | 0 | penicillanic acids; triazoles | antiinfective agent; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor |
| gefitinib [no description available] | 2.69 | 2 | 0 | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
| 4-carboxyfluorescein [no description available] | 2.11 | 1 | 0 | monocarboxylic acid | fluorochrome |
| angiotensin ii, des-asp(1)-des-arg(2)-ile(5)- angiotensin II, des-Asp(1)-des-Arg(2)-Ile(5)-: 3-8 hexapeptide fragment of angiotensin II; smallest potent angiotensin II antagonist | 2.06 | 1 | 0 | organic molecular entity | |
| cyclic adp-ribose Cyclic ADP-Ribose: A pyridine nucleotide that mobilizes CALCIUM. It is synthesized from nicotinamide adenine dinucleotide (NAD) by ADP RIBOSE CYCLASE. | 2.07 | 1 | 0 | cyclic purine nucleotide; nucleotide-sugar | metabolite; ryanodine receptor agonist |
| 1,1,2-triphenylbut-1-ene [no description available] | 3.06 | 5 | 0 | ||
| 11-dodecenoic acid [no description available] | 2.39 | 2 | 0 | dodecenoic acid | |
| 4-methoxy-2,2,6,6-tetramethylpiperidinyl-1-oxy 4-methoxy-2,2,6,6-tetramethylpiperidinyl-1-oxy: structure given in first source | 2.02 | 1 | 0 | ||
| methotrexate [no description available] | 3.06 | 5 | 0 | dicarboxylic acid; monocarboxylic acid amide; pteridines | abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent |
| delphinidin delphinidin: RN given refers to parent cpd;. delphinidin : An anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at the 3-, 5- and 7-positions and a 3,4,5-trihydroxyphenyl group at the 2-position. It is a plant pigment responsible for the colours of the plants of the genera Viola and Delphinium. | 2.08 | 1 | 0 | 5-hydroxyanthocyanidin | antineoplastic agent; biological pigment; plant metabolite |
| 4-methyl-1,2,4-triazoline-3,5-dione 4-methyl-1,2,4-triazoline-3,5-dione: structure given in ifrst source | 1.97 | 1 | 0 | ||
| 4-hydroxy-25-desoxyneorollinicin 4-hydroxy-25-desoxyneorollinicin: isol from Rollina papilionella; structure given in first source | 2.02 | 1 | 0 | ||
| 2-hydroxypropylvaline 2-hydroxypropylvaline: RN given refers to (DL)-isomer; RN for cpd without isomeric designation not available 11/88 | 1.97 | 1 | 0 | ||
| bis-benzimidazole bis-benzimidazole: in vitro inhibitor of arenavirus synthesis; studied in treatment of lymphocytic choriomeningitis virus infections; also used as its di-HCl salt, A37536; RN given refers to parent cpd with unspecified isomeric designation; structure | 2.02 | 1 | 0 | ||
| flustramine b flustramine B: from Flustra foliacea L.; exhibits muscle relaxant activity both in vivo & in vitro; structure given in first source | 2.03 | 1 | 0 | ||
| gamma-carboline gamma-carboline: RN given refers to parent cpd; structure given in first source | 2.15 | 1 | 0 | pyridoindole | |
| nonyl-4-hydroxyquinoline-n-oxide [no description available] | 2.37 | 2 | 0 | ||
| 6-bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene 6-bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene: structure given in first source | 2.1 | 1 | 0 | monoterpenoid; organobromine compound; organochlorine compound | algal metabolite; antineoplastic agent; marine metabolite |
| hexestrol diphosphate cytostatin: an inhibitor of cell adhesion isolated from Streptomyces; structure in first source | 2.44 | 2 | 0 | ||
| 3-(mercaptomethyl)-2-oxo-1-piperidineacetic acid [no description available] | 2.03 | 1 | 0 | ||
| methylenolactocin methylenolactocin: from Penicillium sp.; structure given in first source | 2.1 | 1 | 0 | ||
| carbapenems [no description available] | 2.04 | 1 | 0 | ||
| xylose xylopyranose: structure in first source | 2.92 | 4 | 0 | D-xylose | |
| fulvene fulvene: structure. fulvene : An organic cyclic compound that consists of cyclopentadiene bearing a methylene substituent. The parent of the class of fulvenes. | 7.72 | 3 | 0 | fulvenes | |
| quinone methide quinone methide: intermediate in eumelanin biosynthesis; structure given in first source. quinomethane : A methylidenecyclohexadienone, formally derived from a benzoquinone by replacement of one of the quinone oxygens by a methylidene group. | 8.31 | 6 | 0 | quinomethane | |
| dithiane dithiane: structure in first source | 2.08 | 1 | 0 | dithiane | |
| conduritol b conduritol B: RN given for ((1alpha,2beta,3alpha,4beta)-(+-))-isomer; structure in first source. conduritol : A tetrol that is cyclohexene in which a hydrogen attached to each of the carbons at positions 3, 4, 5, and 6 is replaced by a hydroxy group. The group consists of six possible diastereoisomers, known as conduritols A to F, some of which can exist as two distinct enantiomers.. conduritol B : A racemate consisting of the two possible cyclohex-5-ene-1,2,3,4-tetrols in which the hydroxy groups at positions 2, 3, and 4 are in a trans,cis,trans- relationship to that at position 1. | 2 | 1 | 0 | cyclitol; secondary alcohol; tetrol | |
| duroquinol durohydroquinone : A member of the class of hydroquinones that is benzene-1,4-diol carrying four methyl groups at positions 2, 3, 5 and 6. | 2.07 | 1 | 0 | hydroquinones; methylbenzene | bacterial xenobiotic metabolite; volatile oil component |
| salicylideneaniline salicylideneaniline: structure in first source | 2.06 | 1 | 0 | ||
| beta-lactams 2-azetidinone: structure in first source. azetidin-2-one : An unsubstituted beta-lactam compound.. beta-lactam : A lactam in which the amide bond is contained within a four-membered ring, which includes the amide nitrogen and the carbonyl carbon. | 9 | 13 | 0 | beta-lactam antibiotic allergen; beta-lactam | |
| cyclopropenone cyclopropenone: structure in first source. cyclopropenone : Three-membered alicyclic ketones containing a single C=C double bond. | 2.02 | 1 | 0 | ||
| perrhenate perrhenate: RN given refers to cpd with MF of O4-Re | 4.54 | 4 | 0 | monovalent inorganic anion; rhenium oxoanion | |
| cyclohexadienone cyclohexadienone: structure in first source | 2.77 | 3 | 0 | ||
| sperm motility inhibitor 2 [no description available] | 4.39 | 6 | 0 | ||
| cyclobutenone cyclobutenone: structure in first source | 3 | 4 | 0 | ||
| phytol [no description available] | 7 | 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. | 6.11 | 38 | 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 |
| docetaxel anhydrous Docetaxel: A semisynthetic analog of PACLITAXEL used in the treatment of locally advanced or metastatic BREAST NEOPLASMS and NON-SMALL CELL LUNG CANCER.. docetaxel anhydrous : A tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group. | 2.1 | 1 | 0 | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | antimalarial; antineoplastic agent; photosensitizing agent |
| 5-vinyl-2'-deoxyuridine 5-vinyl-2'-deoxyuridine: structure | 2.1 | 1 | 0 | ||
| molybdenum chloride [no description available] | 2.15 | 1 | 0 | ||
| 1-methylcyclopropene 1-methylcyclopropene: do not confuse with 1-methylcyclopropane. 1-methylcyclopropene : A member of the class of cyclopropenes that is cyclopropene in which the hydrogen at position 1 has been replaced by a methyl group. A gas at room temperture and pressure, it is a (synthetic) ethylene perception inhibitor and is used to prolong the life of cut and potted flowers, other ornamental plants, and fruit. | 2.74 | 3 | 0 | cycloalkene; cyclopropenes | agrochemical; plant growth regulator |
| glycero-manno-heptose glycero-manno-heptose: N1 same as NM; RN given refers to (L-glycero-D-manno)-isomer | 2.03 | 1 | 0 | ||
| ribulose ribulose: 5-carbon keto sugar; minor descriptor (75-85); on-line & Index Medicus search PENTOSES (75-85); RN given refers to (erythro)-isomer | 1.93 | 1 | 0 | ribulose | Escherichia coli metabolite; human metabolite |
| 2-aminocyclohexanecarboxylic acid 2-aminocyclohexanecarboxylic acid: RN given for (trans)-isomer; structure in first source | 2 | 1 | 0 | ||
| phosphorodithioic acid dithiophosphoric acid : A phosphorothioic acid that is the phosphoric acid having two of its oxygen atoms replaced by sulfur atoms. | 2.48 | 2 | 0 | phosphorothioic acid | |
| 1-cyano-2-hydroxy-3,4-epithiobutane 1-cyano-2-hydroxy-3,4-epithiobutane: RN given refers to cpd without isomeric designation | 2.42 | 2 | 0 | ||
| 10-deacetylbaccatine iii 10-deacetylbaccatine III: structure given in first source | 2.45 | 2 | 0 | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | |
| vinylglycine vinylglycine: irreversible inhibitor of aspartate aminotransferase; structure. L-vinylglycine : A non-proteinogenic L-alpha-amino acid with a structure in which a vinyl group is bonded to the alpha-carbon of glycine. | 1.95 | 1 | 0 | glycine derivative; L-alpha-amino acid zwitterion; non-proteinogenic L-alpha-amino acid | EC 4.4.1.14 (1-aminocyclopropane-1-carboxylate synthase) inhibitor |
| naproxen Naproxen: An anti-inflammatory agent with analgesic and antipyretic properties. Both the acid and its sodium salt are used in the treatment of rheumatoid arthritis and other rheumatic or musculoskeletal disorders, dysmenorrhea, and acute gout.. naproxen : A methoxynaphthalene that is 2-methoxynaphthalene substituted by a carboxy ethyl group at position 6. Naproxen is a non-steroidal anti-inflammatory drug commonly used for the reduction of pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, kidney stones, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, menstrual cramps, tendinitis, bursitis, and for the treatment of primary dysmenorrhea. It works by inhibiting both the COX-1 and COX-2 enzymes. | 3.14 | 1 | 0 | methoxynaphthalene; monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
| magellaninone magellaninone: isolated from Lycopodium; structure in first source | 2.11 | 1 | 0 | ||
| hydroxyl radical Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent. | 6.86 | 48 | 0 | oxygen hydride; oxygen radical; reactive oxygen species | |
| triflimide triflimide: structure in first source | 3.9 | 3 | 0 | ||
| gallium oxide gallium oxide: RN given refers to unlabeled cpd | 2.07 | 1 | 0 | ||
| dialuminum magnesium tetraoxide spinell: mineral that can be colored to match dentin | 2.66 | 2 | 0 | ||
| yttria yttria: molecular formula Y2-O3 | 2.03 | 1 | 0 | ||
| sodium percarbonate sodium percarbonate: RN given refers to unspecified Na salt | 2.47 | 2 | 0 | ||
| singlet oxygen Singlet Oxygen: An excited state of molecular oxygen generated photochemically or chemically. Singlet oxygen reacts with a variety of biological molecules such as NUCLEIC ACIDS; PROTEINS; and LIPIDS; causing oxidative damages. | 11.18 | 24 | 0 | chalcogen; monoatomic oxygen; nonmetal atom | macronutrient |
| cryptotanshinone cryptotanshinone: from Salvia miltiorrhiza | 2.55 | 2 | 0 | abietane diterpenoid | anticoronaviral agent |
| fenton's reagent Fenton's reagent: used for oxidizing sugars & alcohols | 2 | 1 | 0 | ||
| carbodiimides Carbodiimides: Compounds with the general formula RN=C=NR, where R is a hydrocarbyl group.. methanediimine : A carbodiimide in which both nitrogens are unsubstituted. | 2.47 | 2 | 0 | carbodiimide | |
| carbazic acid [no description available] | 2.47 | 2 | 0 | monocarboxylic acid; one-carbon compound | |
| flaviolin flaviolin: isolated from mutants of Wangiella dermatitidis; structure given in first source. flaviolin : A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone having three hydroxy substituents placed at the 2-, 5- and 7-positions. | 2.05 | 1 | 0 | ||
| cannabidiolic acid cannabidiolic acid: structure. cannabidiolic acid : A dihydroxybenzoic acid that is olivetolic acid in which the hydrogen at position 3 is substituted by a 3-p-mentha-1,8-dien-3-yl (limonene) group. | 2.17 | 1 | 0 | dihydroxybenzoic acid; phytocannabinoid; polyketide; resorcinols | |
| tetrangomycin tetrangomycin: RN given for (+)-isomer; structure in first source. tetrangomycin : An angucycline antibiotic that is 3,4-dihydrotetraphene-1,7,12(2H)-trione substituted by hydroxy groups at positions 3 and 8 and a methyl group at position 3 (the 3R stereoisomer) ring system. It is an antibiotic isolated from Streptomyces sp. | 2.07 | 1 | 0 | ||
| zinc hematoporphyrin [no description available] | 2.44 | 2 | 0 | ||
| cerous chloride cerous chloride: RN given refers to cpd with MF CeCl3 | 2.05 | 1 | 0 | cerium coordination entity | |
| 2-dodecylcyclobutanone [no description available] | 2.45 | 2 | 0 | cyclic ketone | |
| benzimidazol-2-one benzimidazol-2-one: non-catechol D1 & D2 dopamine receptor agonists; structure given in first source | 2.06 | 1 | 0 | ||
| aristololactam bii aristololactam BII: isolated from Saururus cernuus; structure given in first source | 2.07 | 1 | 0 | ||
| 3,4-dihydro-3-hydroxy-8-methoxy-3-methyl-2h-benz(a)anthracene-1,7,12-trione MM 47755: from streptomycete isolated from soil; structure given in first source | 2.07 | 1 | 0 | ||
| homochelidonine homochelidonine: structure in first source | 2.03 | 1 | 0 | benzophenanthridine alkaloid | |
| cupric hydroxide copper hydroxide: used as an antifungal agent | 2.1 | 1 | 0 | organic molecular entity | |
| my 12-62c MY 12-62c: from Pseudomonas methanica KY4634. 2-heptyl-4-quinolone : A quinolone consisting of quinolin-4(1H)-one carrying a heptyl substituent at position 2.. 2-heptyl-4-hydroxyquinoline : A monohydroxyquinoline that is 4-hydroxyquinoline bearing an additional heptyl substituent at position 2. | 2.25 | 1 | 0 | monohydroxyquinoline; quinolone | antibacterial agent; iron chelator; metabolite; signalling molecule |
| trifluoromethionine trifluoro-L-methionine : An L-alpha-amino acid, methionine, with the S-methyl group trifluoro-substituted. | 3.14 | 1 | 0 | L-methionine derivative; non-proteinogenic L-alpha-amino acid; organofluorine compound | |
| phosphorodiamidic acid phosphorodiamidic acid: structure in first source | 2.85 | 4 | 0 | ||
| silver fluoride [no description available] | 2.11 | 1 | 0 | fluoride salt; silver salt | |
| metaperiodate metaperiodate: RN given refers to periodic acid, Na salt; structure. periodate : A monovalent inorganic anion obtained by deprotonation of periodic acid. | 2.44 | 2 | 0 | iodine oxoanion; monovalent inorganic anion | |
| anacardic acid anacardic acid: isolated from Anacardium occidentale; monophenol monooxygenase inhibitor. anacardic acid : A hydroxybenzoic acid that is salicylic acid substituted by a pentadecyl group at position 6. It is a major component of cashew nut shell liquid and exhibits an extensive range of bioactivities. | 2 | 1 | 0 | hydroxy monocarboxylic acid; hydroxybenzoic acid | anti-inflammatory agent; antibacterial agent; anticoronaviral agent; apoptosis inducer; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; neuroprotective agent; plant metabolite |
| palladium(ii) acetate [no description available] | 2.99 | 4 | 0 | ||
| vinylphosphonic acid [no description available] | 2.02 | 1 | 0 | ||
| n,n'-bis(salicylideneamino)ethane-manganese(ii) N,N'-bis(salicylideneamino)ethane-manganese(II): structure given in first source | 2.74 | 3 | 0 | ||
| biotin vitamin B7 : Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms. | 3.26 | 6 | 0 | biotins; vitamin B7 | coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite |
| angiotensin ii Giapreza: injectable form of angiotensin II used to increase blood pressure in adult patients with septic or other distributive shock. Ile(5)-angiotensin II : An angiotensin II that acts on the central nervous system (PDB entry: 1N9V). | 2.06 | 1 | 0 | amino acid zwitterion; angiotensin II | human metabolite |
| campesterol campesterol: RN refers to (3beta,24R)-isomer; structure | 2.05 | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C28-steroid; phytosterols | mouse metabolite |
| atropine tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate : A tropane alkaloid that is (1R,5)-8-methyl-8-azabicyclo[3.2.1]octane substituted by a (3-hydroxy-2-phenylpropanoyl)oxy group at position 3. | 2.89 | 4 | 0 | ||
| lignin Lignin: The most abundant natural aromatic organic polymer found in all vascular plants. Lignin together with cellulose and hemicellulose are the major cell wall components of the fibers of all wood and grass species. Lignin is composed of coniferyl, p-coumaryl, and sinapyl alcohols in varying ratios in different plant species. (From Merck Index, 11th ed). lignin : A polyphenylpropanoid derived from three monolignol monomers: trans-p-coumaryl alcohol, coniferol and trans-sinapyl alcohol. There is extensive cross-linking and no defined primary structure. | 10.44 | 17 | 0 | ||
| sb 203580 [no description available] | 2.45 | 2 | 0 | imidazoles; monofluorobenzenes; pyridines; sulfoxide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent |
| aromadendrene aromadendrene: do not confuse with aromadendrin | 2.08 | 1 | 0 | sesquiterpenoid | |
| organophosphonates hydrogenphosphite : A divalent inorganic anion resulting from the removal of a proton from two of the hydroxy groups of phosphorous acid. | 6.99 | 56 | 0 | divalent inorganic anion; phosphite ion | |
| manzacidin a manzacidin A: structure in first source | 2.03 | 1 | 0 | ||
| goniodiol goniodiol: from Malaysian medicinal plant; structure in first source | 2.04 | 1 | 0 | ||
| brevicomin brevicomin: RN given refers to (1R-exo)-isomer; structure | 2.52 | 2 | 0 | ||
| curcudiol curcudiol: RN given for (S)-isomer; structure in first source | 2.1 | 1 | 0 | ||
| aflatoxin b1 Aflatoxin B1: A potent hepatotoxic and hepatocarcinogenic mycotoxin produced by the Aspergillus flavus group of fungi. It is also mutagenic, teratogenic, and causes immunosuppression in animals. It is found as a contaminant in peanuts, cottonseed meal, corn, and other grains. The mycotoxin requires epoxidation to aflatoxin B1 2,3-oxide for activation. Microsomal monooxygenases biotransform the toxin to the less toxic metabolites aflatoxin M1 and Q1.. aflatoxin B1 : An aflatoxin having a tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11. | 3.83 | 3 | 0 | aflatoxin; aromatic ether; aromatic ketone | carcinogenic agent; human metabolite |
| 1,4,7-triazacyclononane 1,4,7-triazacyclononane: structure given in first source | 2.03 | 1 | 0 | azacycloalkane; crown amine; saturated organic heteromonocyclic parent | |
| 4,8,12-trimethyl-1,3,7,11-tridecatetraene 4,8,12-trimethyl-1,3,7,11-tridecatetraene: released by lima bean plants upon predation by T. urticae | 3.44 | 7 | 0 | ||
| ezlopitant ezlopitant: structure in first source | 2 | 1 | 0 | ||
| manganese(iii) porphyrin manganese(III) porphyrin: RN & N1 from 9th CI Form Index | 2.73 | 3 | 0 | ||
| aphanorphine aphanorphine: isolated from the fresh water blue-green alga; structure in first source | 2.06 | 1 | 0 | ||
| o-benzoylhydroxylamine O-benzoylhydroxylamine: oxidizing agent | 2.57 | 2 | 0 | ||
| phenserine phenserine: a carbamate analog of physostigmine; a long-acting inhibitor of cholinesterase | 2.03 | 1 | 0 | ||
| 3,7-diazabicyclo(3.3.1)nonane 3,7-diazabicyclo(3.3.1)nonane: 7-aza analog of azabicyclane; structure | 2.44 | 2 | 0 | ||
| cucurbit(6)uril cucurbit(6)uril: a macrocyclic cavitand comprising six GLYCOLURIL units; can be used for creating ROTAXANES. cucurbituril : A macrocycle consisting of repeating 2,5-dioxodihydroimidazo[4,5-d]imidazole-1,3,4,6-tetrayl (glycoluril) units linked by methylene groups. The number of glycoluril units in the macrocycle is denoted by the "n" in cucurbit[n]uril name. | 2.03 | 1 | 0 | ||
| roseofungin roseofungin: polyene antibiotic produced by a Streptomyces strain; Russian drug | 1.95 | 1 | 0 | ||
| chlorite [no description available] | 1.98 | 1 | 0 | chlorine oxoanion; monovalent inorganic anion | |
| sorafenib [no description available] | 2.21 | 1 | 0 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide | angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor |
| pimaric acid pimaric acid: RN given refers to (D)-isomer; structure | 2.02 | 1 | 0 | diterpenoid | |
| santonin Santonin: Anthelmintic isolated from the dried unexpanded flower heads of Artemisia maritima and other species of Artemisia found principally in Russian and Chinese Turkestan and the Southern Ural region. (From Merck, 11th ed.) | 2 | 1 | 0 | botanical anti-fungal agent; santonin | plant metabolite |
| erythritol [no description available] | 2.74 | 3 | 0 | butane-1,2,3,4-tetrol | antioxidant; human metabolite; plant metabolite |
| fumagillol fumagillol: from Penicillium jensenii; FR 65814 is an analog; structure given in first source. fumagillol : A sesquiterpenoid with antimicrobial properties. | 2.02 | 1 | 0 | secondary alcohol; sesquiterpenoid; spiro-epoxide | antimicrobial agent |
| equilin Equilin: An estrogenic steroid produced by HORSES. It has a total of four double bonds in the A- and B-ring. High concentration of euilin is found in the URINE of pregnant mares. | 1.96 | 1 | 0 | 17-oxo steroid; 3-hydroxy steroid | |
| cholesterol alpha-oxide cholesterol alpha-oxide: RN given refers to (3beta,5alpha,6alpha)-isomer; structure | 1.96 | 1 | 0 | 3beta-hydroxy steroid; epoxy steroid; oxysterol | |
| aspidospermine aspidospermine: an indole fused to a qunoline; isolated from Aspidosperma tree; structure given in first source. aspidospermine : An indole alkaloid having the structure of aspirospermidine methoxylated at C-17 and acetylated at N-1. | 2.01 | 1 | 0 | indole alkaloid | |
| 3-nitrotyrosine 3-nitrotyrosine: RN given refers to parent cpd without isomeric designation. 3-nitrotyrosine : A nitrotyrosine comprising tyrosine having a nitro group at the 3-position on the phenyl ring. | 2.44 | 2 | 0 | 2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid | |
| 5-hydroxymethylfurfural 5-hydroxymethylfurfural: has antisickling activity; HMF is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. 5-hydroxymethylfurfural : A member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. | 3.19 | 1 | 0 | arenecarbaldehyde; furans; primary alcohol | indicator; Maillard reaction product |
| sodium sulfide sodium sulfide: see also record for sodium bisulfide; actisoufre is the sodium sulfide component of sulfur-containing thermal springs which is also found in Saccharomyces cerevisiae | 2.1 | 1 | 0 | ||
| propargylamine propargylamine: RN given refers to parent cpd; structure | 2.73 | 3 | 0 | ||
| 3-octanone 3-octanone : A dialkyl ketone that is octane in which the two methylene protons at position 3 have been replaced by an oxo group. | 2.21 | 1 | 0 | dialkyl ketone | antifeedant; biomarker; fungal metabolite; human urinary metabolite; insect attractant; plant metabolite; toxin |
| lanosterol [no description available] | 2.68 | 3 | 0 | 14alpha-methyl steroid; 3beta-sterol; tetracyclic triterpenoid | bacterial metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
| 1-phenylpropene 1-phenylpropene: structure in first source | 2.03 | 1 | 0 | ||
| anisomycin Anisomycin: An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system.. (-)-anisomycin : An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system. | 2.06 | 1 | 0 | monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic | anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor |
| benzofurans Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring. | 7.12 | 61 | 0 | ||
| sodium bromide sodium bromide: RN given refers to parent cpd. sodium bromide : An inorganic sodium salt having bromide as the counterion. | 2.02 | 1 | 0 | bromide salt; inorganic sodium salt | |
| dunnione dunnione: RN given for (+)-isomer; an industrial fungicide; structure in first source | 2.11 | 1 | 0 | naphthofuran | |
| homoharringtonine Homoharringtonine: Semisynthetic derivative of harringtonine that acts as a protein synthesis inhibitor and induces APOPTOSIS in tumor cells. It is used in the treatment of MYELOID LEUKEMIA, CHRONIC.. omacetaxine mepesuccinate : A cephalotaxine-derived alkaloid ester obtained from Cephalotaxus harringtonia; used for the treatment of chronic or accelerated phase chronic myeloid leukaemia. | 1.97 | 1 | 0 | alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol | anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor |
| ketopinic acid ketopinic acid: structure in first source | 2 | 1 | 0 | ||
| 1,3-cyclooctadiene [no description available] | 2.04 | 1 | 0 | ||
| wortmannin [no description available] | 2.17 | 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 |
| ibogaine Ibogaine: One of several indole alkaloids extracted from Tabernanthe iboga, Baill. It has a complex pharmacological profile, and interacts with multiple systems of neurotransmission. Ibogaine has psychoactive properties and appears to modulate tolerance to opiates.. ibogaine : An organic heteropentacyclic compound that is ibogamine in which the indole hydrogen para to the indole nitrogen has been replaced by a methoxy group. | 2.01 | 1 | 0 | ||
| 2-oxindole 2-oxindole: RN given refers to parent cpd; structure. indolin-2-one : An indolinone carrying an oxo group at position 2. | 5.24 | 46 | 0 | gamma-lactam; indolinone | |
| esermethole esermethole: structure in first source | 2.74 | 3 | 0 | ||
| sorbinil sorbinil: aldose reductase inhibitor. sorbinil : An azaspiro compound having a monofluoro-substituted chromane skeleton spiro-linked to an imidazolidinedione ring. | 2 | 1 | 0 | azaspiro compound; chromanes; imidazolidinone; organofluorine compound; oxaspiro compound | antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor |
| o-iodoxybenzoic acid o-iodoxybenzoic acid: structure in first source. 1-hydroxy-1,3-dioxobenziodoxole : A benziodoxole compound having hydroxy and oxo substituents at the 1-position and an oxo substituent at the 3-position. It is a mild and efficient hypervalent iodine synthetic reagent used to carry out several selective oxidation reactions. | 2.21 | 1 | 0 | benziodoxole | EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; oxidising agent |
| 4,5-diazafluoren-9-one 4,5-diazafluoren-9-one: structure in first source | 2.58 | 2 | 0 | ||
| cercosporin cercosporin: phyytotoxin from Cercospora beticola Sacc; posses photodynamic action on mice, bacteria & plants. cercosporin : An organic heterohexacyclic compound that is perylo[1,12-def][1,3]dioxepine-6,11-dione substituted by hydroxy groups at positions 5 and 12, by methoxy groups at positions 7 and 10, and by 2-hydroxypropyl groups at positions 8 and 9 (the R,R-stereoisomer). It is a phytotoxin which was first isolated from the pathogenic soybean fungus, Cercospora kikuchii and later found in multiple members of the genus Cercospora. | 7.25 | 1 | 0 | ||
| tris(2-pyridylmethyl)amine tris(2-pyridylmethyl)amine: structure in first source | 2.02 | 1 | 0 | ||
| piperitenone piperitenone: structure given in first source | 2.03 | 1 | 0 | p-menthadien-3-one | |
| acetogenins Acetogenins: Polyketides of up to a few dozen carbons in length, formed by chain extension of multiple PROPIONATES and oxygenated to form tetrahydrofuran and lactone rings along the length of the chain. They are found in ANNONACEAE and other PLANTS. Related compounds cyclize to MACROLIDES. | 2.49 | 2 | 0 | ||
| sylvaticin sylvaticin: structure given in first source; cytotoxic & insecticidal acetogenin from Rollinia sylvatica (Annonaceae) | 2.05 | 1 | 0 | ||
| elisabethin a elisabethin A: structure in first source | 2.02 | 1 | 0 | ||
| dihydropyridines Dihydropyridines: Pyridine moieties which are partially saturated by the addition of two hydrogen atoms in any position. | 4.68 | 8 | 0 | ||
| permanganate [no description available] | 2.36 | 2 | 0 | manganese oxoacid | |
| lithium chloride Lithium Chloride: A salt of lithium that has been used experimentally as an immunomodulator.. lithium chloride : A metal chloride salt with a Li(+) counterion. | 2.74 | 3 | 0 | inorganic chloride; lithium salt | antimanic drug; geroprotector |
| s-adenosylhomocysteine S-Adenosylhomocysteine: 5'-S-(3-Amino-3-carboxypropyl)-5'-thioadenosine. Formed from S-adenosylmethionine after transmethylation reactions.. S-adenosyl-L-homocysteine : An organic sulfide that is the S-adenosyl derivative of L-homocysteine. | 2.03 | 1 | 0 | adenosines; amino acid zwitterion; homocysteine derivative; homocysteines; organic sulfide | cofactor; EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor; EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor; epitope; fundamental metabolite |
| 5'-methylthioadenosine 5'-methylthioadenosine: structure. 5'-S-methyl-5'-thioadenosine : Adenosine with the hydroxy group at C-5' substituted with a methylthio (methylsulfanyl) group. | 2.06 | 1 | 0 | thioadenosine | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| glycogen glycogen : A polydisperse, highly branched glucan composed of chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage, joined together by alpha(1->6) glycosidic linkages. A small number of alpha(1->3) glycosidic linkages and some cumulative alpha(1->6) links also may occur. The branches in glycogen typically contain 8 to 12 glucose residues. | 2.03 | 1 | 0 | ||
| sorbose sorbopyranose : The pyranose form of sorbose.. L-sorbopyranose : The L-stereoisomer of sorbopyranose. | 2.03 | 1 | 0 | L-sorbose; sorbopyranose | |
| arabinose [no description available] | 8.48 | 8 | 0 | L-arabinose | Escherichia coli metabolite; mouse metabolite |
| n-acetylneuraminic acid N-Acetylneuraminic Acid: An N-acyl derivative of neuraminic acid. N-acetylneuraminic acid occurs in many polysaccharides, glycoproteins, and glycolipids in animals and bacteria. (From Dorland, 28th ed, p1518). N-acetylneuraminic acid : An N-acylneuraminic acid where the N-acyl group is specified as acetyl. | 2.47 | 2 | 0 | N-acetylneuraminic acids | antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite |
| fibrin Fibrin: A protein derived from FIBRINOGEN in the presence of THROMBIN, which forms part of the blood clot. | 3.74 | 3 | 0 | peptide | |
| 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. | 2.15 | 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. | 2.68 | 3 | 0 | D-glucosamine | Escherichia coli metabolite; geroprotector; mouse metabolite |
| elastin [no description available] | 2.39 | 2 | 0 | oligopeptide | |
| mevalonic acid Mevalonic Acid: A dihydroxy monocarboxylic acid and precursor in the biosynthetic pathway known as the mevalonate pathway, which produces terpenes and steroids that are vital for diverse cellular functions.. mevalonic acid : A racemate composed of equimolar amounts of (R)- and (S)-mevalonic acid.. (R)-mevalonic acid : The (R)-enantiomer of mevalonic acid. | 5.97 | 36 | 0 | 3,5-dihydroxy-3-methylpentanoic acid | |
| raffinose Raffinose: A trisaccharide occurring in Australian manna (from Eucalyptus spp, Myrtaceae) and in cottonseed meal.. raffinose : A trisaccharide composed of alpha-D-galactopyranose, alpha-D-glucopyranose and beta-D-fructofuranose joined in sequence by 1->6 and 1<->2 glycosidic linkages, respectively. | 2.1 | 1 | 0 | raffinose family oligosaccharide; trisaccharide | mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
| 7-dehydrocholesterol [no description available] | 2.05 | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; cholestanoid; Delta(5),Delta(7)-sterol | human metabolite; mouse metabolite |
| 3,4-dihydroxyphenyllactic acid 3,4-dihydroxyphenyllactic acid: from S. miltiorhiza Bge; dilates coronary artery; RN given refers to parent cpd without isomeric designation | 3.65 | 2 | 0 | 2-hydroxy monocarboxylic acid; catechols | |
| cysteinylglycine cysteinylglycine: RN given refers to (L)-isomer; RN for cpd without isomeric designation not in Chemlne 7/13/83. L-cysteinylglycine : A dipeptide consisting of glycine having an L-cysteinyl attached to its alpha-amino group. It is an intermediate metabolite in glutathione metabolism. | 1.98 | 1 | 0 | dipeptide zwitterion; dipeptide | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
| ouabain Ouabain: A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like DIGITALIS. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-EXCHANGING ATPASE.. cardiac glycoside : Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles.. ouabain : A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus. | 2.86 | 4 | 0 | 11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone | anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite |
| puromycin [no description available] | 3.44 | 2 | 0 | puromycins | antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor |
| desmosterol Desmosterol: An intermediate in the synthesis of cholesterol.. desmosterol : A cholestanoid that is cholesta-5,24-diene substituted by a beta-hydroxy group at position 3. It is an intermediate metabolite obtained during the synthesis of cholesterol. | 2.6 | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C27-steroid; cholestanoid | human metabolite; mouse metabolite |
| tartaric acid tartaric acid: RN given refers to cpd with unspecified isomeric designation. D-tartaric acid : The D-enantiomer of tartaric acid. | 3.42 | 7 | 0 | tartaric acid | Escherichia coli metabolite |
| mannosamine mannosamine: RN given refers to parent cpd without isomeric designation. D-mannosamine : The D-enantiomer of mannosamine.. 2-amino-2-deoxy-D-mannopyranose : A D-mannosamine in cyclic pyranose form. | 3.04 | 4 | 0 | D-mannosamine | |
| tetrahydrocolumbamine tetrahydrocolumbamine: a dopamine receptor ligand; from Polygala tenuifolia; structure given in first source. (S)-tetrahydrocolumbamine : A berberine alkaloid consisting of columbamine having four extra hydrogens at positions 5, 8, 13 and 13a and (S)-configuration. | 2.08 | 1 | 0 | berberine alkaloid; organic heterotetracyclic compound | |
| dehydroascorbic acid Dehydroascorbic Acid: The reversibly oxidized form of ascorbic acid. It is the lactone of 2,3-DIKETOGULONIC ACID and has antiscorbutic activity in man on oral ingestion.. L-dehydroascorbate : An organic anion and the conjugate base of L-dehydroascorbic acid, arising from deprotonation of the acidic C2-position.. L-dehydroascorbic acid : Dehydroascorbic acid having the L-configuration. | 2 | 1 | 0 | dehydroascorbic acid; vitamin C | coenzyme; mouse metabolite |
| arbutin hydroquinone O-beta-D-glucopyranoside : A monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. | 2.01 | 1 | 0 | beta-D-glucoside; monosaccharide derivative | Escherichia coli metabolite; plant metabolite |
| cellulase Cellulase: An endocellulase with specificity for the hydrolysis of 1,4-beta-glucosidic linkages in CELLULOSE, lichenin, and cereal beta-glucans.. beta-cellotriose : A cellotriose with a beta-configuration at the anomeric position. | 2.01 | 1 | 0 | cellotriose | |
| gulose gulose: RN given refers to cpd without isomeric designation. gulopyranose : The pyranose form of gulose.. gulose : An aldohexose that is the C-3 epimer of galactose. | 2.75 | 3 | 0 | D-aldohexose; D-gulose; gulopyranose | |
| psicose, (d)-isomer [no description available] | 1.94 | 1 | 0 | monosaccharide | |
| quinidine Quinidine: An optical isomer of quinine, extracted from the bark of the CHINCHONA tree and similar plant species. This alkaloid dampens the excitability of cardiac and skeletal muscles by blocking sodium and potassium currents across cellular membranes. It prolongs cellular ACTION POTENTIALS, and decreases automaticity. Quinidine also blocks muscarinic and alpha-adrenergic neurotransmission.. quinidine : A cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy. | 2.36 | 2 | 0 | cinchona alkaloid | alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker |
| griseofulvin Griseofulvin: An antifungal agent used in the treatment of TINEA infections.. griseofulvin : An oxaspiro compound produced by Penicillium griseofulvum. It is used by mouth as an antifungal drug for infections involving the scalp, hair, nails and skin that do not respond to topical treatment. | 3.96 | 2 | 0 | 1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound | antibacterial agent; Penicillium metabolite |
| monensin Monensin: An antiprotozoal agent produced by Streptomyces cinnamonensis. It exerts its effect during the development of first-generation trophozoites into first-generation schizonts within the intestinal epithelial cells. It does not interfere with hosts' development of acquired immunity to the majority of coccidial species. Monensin is a sodium and proton selective ionophore and is widely used as such in biochemical studies.. monensin A : A spiroketal, monensin A is the major component of monensin, a mixture of antibiotic substances produced by Streptomyces cinnamonensis. An antiprotozoal, it is used as the sodium salt as a feed additive for the prevention of coccidiosis in poultry and as a growth promoter in cattle. | 2.6 | 1 | 0 | cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal | antifungal agent; coccidiostat; ionophore |
| pentazocine Pentazocine: The first mixed agonist-antagonist analgesic to be marketed. It is an agonist at the kappa and sigma opioid receptors and has a weak antagonist action at the mu receptor. (From AMA Drug Evaluations Annual, 1991, p97) | 3.33 | 1 | 1 | benzazocine | |
| terconazole terconazole: structure & RN for (cis)-isomer from first source. terconazole : A racemate consisting of equimolar amounts of (2R,4S)- and (2S,4R)-terconazole. It has broad-spectrum antifungal activitiy and is used for the treatment of vaginal yeast infections (Candida).. (2R,4S)-terconazole : A 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine in which positions 2 and 4 of the 1,3-dioxolane moiety have R and S configuration, respectively. | 1.92 | 1 | 0 | 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine | |
| norpseudoephedrine norpseudoephedrine: major metabolite of diethylpropion in man under acidic urine conditions; RN given refers to cpd without isomeric designation;. cathine : An amphetamine that is propylbenzene substituted by a hydroxy group at position 1 and by an amino group at position 2 (the 1S,2S-stereoisomer). | 2.02 | 1 | 0 | amphetamines; phenethylamine alkaloid | central nervous system stimulant; plant metabolite; psychotropic drug |
| indican [no description available] | 2.21 | 1 | 0 | beta-D-glucoside; exopolysaccharide; indolyl carbohydrate | |
| pancratistatin pancratistatin: an isocarbostyril from Amaryllidaceae | 2.15 | 1 | 0 | citraconoyl group | |
| ryanodine Ryanodine: A methylpyrrole-carboxylate from RYANIA that disrupts the RYANODINE RECEPTOR CALCIUM RELEASE CHANNEL to modify CALCIUM release from SARCOPLASMIC RETICULUM resulting in alteration of MUSCLE CONTRACTION. It was previously used in INSECTICIDES. It is used experimentally in conjunction with THAPSIGARGIN and other inhibitors of CALCIUM ATPASE uptake of calcium into SARCOPLASMIC RETICULUM.. ryanodine : An insecticide alkaloid isolated from South American plant Ryania speciosa. | 2.13 | 1 | 0 | ||
| ginsenoside rg1 [no description available] | 2.61 | 2 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | neuroprotective agent; pro-angiogenic agent |
| notoginsenoside r1 notoginsenoside R1 : A ginsenoside found in Panax notoginseng that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 pro-S positions, in which the hydroxy groups at positions 6 and 20 have been converted to the corresponding beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside and beta-D-glucopyranoside respectively, and in which a double bond has been introduced at the 24-25 position. | 2.17 | 1 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | antioxidant; apoptosis inducer; neuroprotective agent; phytoestrogen; plant metabolite |
| ingenol [no description available] | 2.42 | 2 | 0 | cyclic terpene ketone; tetracyclic diterpenoid | |
| physovenine physovenine: structure given in first source | 2.57 | 2 | 0 | indoles | |
| alpha-copaene alpha-copaene: from Olea europaea; structure in first source. alpha-copaene : A sesquiterpene that is tricyclo[4.4.0.0(2,7)]dec-3-ene bearing an isopropyl substituent at position 8 and two methyl substituents at positions 1 and 3 (the 1S,6S,7S,8S-diastereomer). | 2.11 | 1 | 0 | ||
| phenylpropanolamine fawcettimine: from Lyopodium; structure in first source | 3.16 | 1 | 0 | azaspiro compound | |
| magellanine magellanine: RN refers to (4aS-(4aalpha,6alpha,6abeta,6balpha,10aalpha,11aR*))-isomer; structure in first source | 2.11 | 1 | 0 | piperidines | |
| pulegone pulegone: component of peppermint oil; RN given refers to cpd without isomeric designation; structure in Merck. (+)-pulegone : The (5R)-enantiomer of p-menth-4(8)-en-3-one. | 2.53 | 2 | 0 | p-menth-4(8)-en-3-one | |
| hinokinin hinokinin: suppresses expression of both HBsAg and HBeAg. hinokinin : A lignan that is dihydrofuran-2(3H)-one (gamma-butyrolactone) substituted by a 3,4-methylenedioxybenzyl group at positions 3 and 4 (the 3R,4R-diastereoisomer). | 2.03 | 1 | 0 | benzodioxoles; gamma-lactone; lignan | trypanocidal drug |
| cyclopamine [no description available] | 2.66 | 2 | 0 | piperidines | glioma-associated oncogene inhibitor |
| lignans Lignans: A class of dibenzylbutane derivatives which occurs in higher plants and in fluids (bile, serum, urine, etc.) in man and other animals. These compounds, which have a potential anti-cancer role, can be synthesized in vitro by human fecal flora. (From Singleton & Sainsbury, Dictionary of Microbiology and Molecular Biology, 2d ed) | 3.75 | 10 | 0 | ||
| 2-c-methylerythritol 4-phosphate 2-C-methylerythritol 4-phosphate: structure in first source | 2.74 | 3 | 0 | tetritol phosphate | Escherichia coli metabolite |
| n-formylmethionine leucyl-phenylalanine N-Formylmethionine Leucyl-Phenylalanine: A formylated tripeptide originally isolated from bacterial filtrates that is positively chemotactic to polymorphonuclear leucocytes, and causes them to release lysosomal enzymes and become metabolically activated.. N-formyl-L-methionyl-L-leucyl-L-phenylalanine : A tripeptide composed of L-Met, L-Leu and L-Phe in a linear sequence with a formyl group at the amino terminus. It acts as a potent inducer of leucocyte chemotaxis and macrophage activator as well as a ligand for the FPR receptor. | 1.96 | 1 | 0 | tripeptide | |
| 7-deoxypancratistatin 7-deoxypancratistatin: a phytogenic antineoplastic agent; structure in first source | 2.03 | 1 | 0 | phenanthridines | |
| betadex beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds. | 3.54 | 8 | 0 | cyclodextrin | |
| maleic acid maleic acid: RN given refers to parent cpd(Z)-isomer which is maleic acid; all RR's given refer to (Z)-isomer; (E)-isomer is fumaric acid. maleic acid : A butenedioic acid in which the double bond has cis- (Z)-configuration. | 9.45 | 19 | 0 | butenedioic acid | algal metabolite; mouse metabolite; plant metabolite |
| acetyl coenzyme a Acetyl Coenzyme A: Acetyl CoA participates in the biosynthesis of fatty acids and sterols, in the oxidation of fatty acids and in the metabolism of many amino acids. It also acts as a biological acetylating agent. | 4 | 4 | 0 | acyl-CoA | acyl donor; coenzyme; effector; fundamental metabolite |
| e-z cinnamic acid cinnamic acid : A monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia.. trans-cinnamic acid : The E (trans) isomer of cinnamic acid | 3.15 | 5 | 0 | cinnamic acid | plant metabolite |
| retinylamine retinylamine: structure | 1.95 | 1 | 0 | ||
| ergosterol [no description available] | 3.71 | 10 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols | fungal metabolite; Saccharomyces cerevisiae metabolite |
| trichostatin a trichostatin A: chelates zinc ion in the active site of histone deacetylases, resulting in preventing histone unpacking so DNA is less available for transcription; do not confuse with TRICHOSANTHIN which is a protein; found in STREPTOMYCES | 2.43 | 2 | 0 | antibiotic antifungal agent; hydroxamic acid; trichostatin | bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector |
| tretinoin Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE).. retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).. all-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry. | 2.99 | 4 | 0 | retinoic acid; vitamin A | anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule |
| arachidonic acid icosa-5,8,11,14-tetraenoic acid : Any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 14.. arachidonate : A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of arachidonic acid. | 3.48 | 8 | 0 | icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid | Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite |
| farnesol Farnesol: A colorless liquid extracted from oils of plants such as citronella, neroli, cyclamen, and tuberose. It is an intermediate step in the biological synthesis of cholesterol from mevalonic acid in vertebrates. It has a delicate odor and is used in perfumery. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). (2-trans,6-trans)-farnesol : The (2-trans,6-trans)-stereoisomer of farnesol.. farnesol : A farnesane sesquiterpenoid that is dodeca-2,6,10-triene substituted by methyl groups at positions 3, 7 and 11 and a hydroxy group at position 1. | 4.51 | 25 | 0 | farnesol | plant metabolite |
| resveratrol trans-resveratrol : A resveratrol in which the double bond has E configuration. | 2.47 | 2 | 0 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
| retinol Vitamin A: Retinol and derivatives of retinol that play an essential role in metabolic functioning of the retina, the growth of and differentiation of epithelial tissue, the growth of bone, reproduction, and the immune response. Dietary vitamin A is derived from a variety of CAROTENOIDS found in plants. It is enriched in the liver, egg yolks, and the fat component of dairy products.. vitamin A : Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication.. all-trans-retinol : A retinol in which all four exocyclic double bonds have E- (trans-) geometry.. retinol : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified). | 4.66 | 9 | 0 | retinol; vitamin A | human metabolite; mouse metabolite; plant metabolite |
| ribothymidine ribothymidine : A methyluridine having a single methyl substituent at the 5-position on the uracil ring. | 2.39 | 2 | 0 | methyluridine | antigen; Escherichia coli metabolite; human metabolite |
| latrunculin a latrunculin A: 16-membered macrolide attached to 2-thiazolidinone moiety; from Red Sea sponge Latrunculia magnifica; see also latrunculin B; structure given in first source. latrunculin A : A bicyclic macrolide natural product consisting of a 16-membered bicyclic lactone attached to the rare 2-thiazolidinone moiety. It is obtained from the Red Sea sponge Latrunculia magnifica and from the Fiji Islands sponge Cacospongia mycofijiensis. Latrunculin A inhibits actin polymerisation, microfilament organsation and microfilament-mediated processes. | 2.03 | 1 | 0 | cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone | actin polymerisation inhibitor; metabolite; toxin |
| oleic acid Oleic Acid: An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed). oleic acid : An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry. | 4.07 | 14 | 0 | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
| tacrolimus Tacrolimus: A macrolide isolated from the culture broth of a strain of Streptomyces tsukubaensis that has strong immunosuppressive activity in vivo and prevents the activation of T-lymphocytes in response to antigenic or mitogenic stimulation in vitro.. tacrolimus (anhydrous) : A macrolide lactam containing a 23-membered lactone ring, originally isolated from the fermentation broth of a Japanese soil sample that contained the bacteria Streptomyces tsukubaensis. | 2.05 | 1 | 0 | macrolide lactam | bacterial metabolite; immunosuppressive agent |
| farnesyl pyrophosphate farnesyl pyrophosphate: a sesquiterpene that dimerizes to SQUALENE; RN given refers to cpd without isomeric designation. 2-trans,6-trans-farnesyl diphosphate : The trans,trans-stereoisomer of farnesyl diphosphate. | 2.36 | 2 | 0 | farnesyl diphosphate | Escherichia coli metabolite; mouse metabolite |
| ferulic acid ferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid. | 2.08 | 1 | 0 | ferulic acids | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite |
| geranyl pyrophosphate geranyl pyrophosphate: RN given refers to (E)-isomer. geranyl diphosphate : The diphosphate of the polyprenol compound geraniol. | 3.38 | 7 | 0 | polyprenyl diphosphate | Escherichia coli metabolite; mouse metabolite |
| cocaine Cocaine: An alkaloid ester extracted from the leaves of plants including coca. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse. Cocaine, like amphetamines, acts by multiple mechanisms on brain catecholaminergic neurons; the mechanism of its reinforcing effects is thought to involve inhibition of dopamine uptake.. cocaine : A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca. | 3.67 | 9 | 0 | benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid | adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
| eicosapentaenoic acid icosapentaenoic acid : Any straight-chain, C20 polyunsaturated fatty acid having five C=C double bonds.. all-cis-5,8,11,14,17-icosapentaenoic acid : An icosapentaenoic acid having five cis-double bonds at positions 5, 8, 11, 14 and 17. | 3.13 | 5 | 0 | icosapentaenoic acid; omega-3 fatty acid | anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical |
| thapsigargin Thapsigargin: A sesquiterpene lactone found in roots of THAPSIA. It inhibits SARCOPLASMIC RETICULUM CALCIUM-TRANSPORTING ATPASES.. thapsigargin : An organic heterotricyclic compound that is a hexa-oxygenated 6,7-guaianolide isolated fron the roots of Thapsia garganica L., Apiaceae. A potent skin irritant, it is used in traditional medicine as a counter-irritant. Thapsigargin inhibits Ca(2+)-transporting ATPase mediated uptake of calcium ions into sarcoplasmic reticulum and is used in experimentation examining the impacts of increasing cytosolic calcium concentrations. | 2.75 | 3 | 0 | butyrate ester; organic heterotricyclic compound; sesquiterpene lactone | calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor |
| mycophenolic acid Mycophenolic Acid: Compound derived from Penicillium stoloniferum and related species. It blocks de novo biosynthesis of purine nucleotides by inhibition of the enzyme inosine monophosphate dehydrogenase (IMP DEHYDROGENASE). Mycophenolic acid exerts selective effects on the immune system in which it prevents the proliferation of T-CELLS, LYMPHOCYTES, and the formation of antibodies from B-CELLS. It may also inhibit recruitment of LEUKOCYTES to sites of INFLAMMATION.. mycophenolate : A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid.. mycophenolic acid : A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases. | 3.33 | 1 | 1 | 2-benzofurans; gamma-lactone; monocarboxylic acid; phenols | anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic |
| mupirocin Mupirocin: A topically used antibiotic from a strain of Pseudomonas fluorescens. It has shown excellent activity against gram-positive staphylococci and streptococci. The antibiotic is used primarily for the treatment of primary and secondary skin disorders, nasal infections, and wound healing.. mupirocin : An alpha,beta-unsaturated ester resulting from the formal condensation of the alcoholic hydroxy group of 9-hydroxynonanoic acid with the carboxy group of (2E)-4-[(2S)-tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoic acid in which the tetrahydropyranyl ring is substituted at positions 3 and 4 by hydroxy groups and at position 5 by a {(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl group. Originally isolated from the Gram-negative bacterium Pseudomonas fluorescens, it is used as a topical antibiotic for the treatment of Gram-positive bacterial infections. | 2.46 | 2 | 0 | alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol | antibacterial drug; bacterial metabolite; protein synthesis inhibitor |
| lycopene [no description available] | 2 | 1 | 0 | acyclic carotene | antioxidant; plant metabolite |
| cefoxitin Tn antigen: immediate precursor in biosynthesis of Thomsen-Friedenreich (T) antigen; present in about 90% of human carcinoma tissue; proposed as universal carcinoma marker. O-(N-acetyl-alpha-D-galactosaminyl)-L-serine : A non-proteinogenic L-amino acid that is N-acetyl-alpha-D-galactosamine linked via an alpha glycosidic bond to the O at position 3 of L-serine. | 2.01 | 1 | 0 | L-serine derivative; non-proteinogenic L-alpha-amino acid | tumour antigen |
| geranylgeranyl pyrophosphate geranylgeranyl pyrophosphate: RN given refers to (E,E,E)-isomer. geranylgeranyl diphosphate : A polyprenol diphosphate having geranylgeranyl as the polyprenyl component.. 2-trans,6-trans,10-trans-geranylgeranyl diphosphate : The all-trans-isomer of geranylgeranyl diphosphate. | 3.73 | 10 | 0 | geranylgeranyl diphosphate | mouse metabolite |
| 2-butenal crotonaldehyde : An enal consisting of propene having a formyl group at the 1-position. | 2.71 | 3 | 0 | enal | |
| desoxyepothilone b desoxyepothilone B: microtubule-targeted antitumor agent; lacking the epoxide of epothilone B; may be equiv to epothilone D. epothilone D : An epithilone that is epithilone C in which the hydrogen at position 13 of the oxacyclohexadec-13-ene-2,6-dione macrocycle has been replaced by a methyl group. | 3.14 | 5 | 0 | epothilone | microtubule-stabilising agent |
| stigmatellin stigmatellin: isolated from myxobacterium Stigmatella aurantiaca; structure in first source. stigmatellin A : A member of the class of chromones that is isolated from Stigmatella aurantiaca Sg a15. | 2.4 | 2 | 0 | aromatic ether; chromones; olefinic compound; phenols | bacterial metabolite; quinol oxidation site inhibitor |
| epothilone b [no description available] | 2.75 | 3 | 0 | epothilone; epoxide | antineoplastic agent; apoptosis inducer; microtubule-stabilising agent |
| violaxanthin violaxanthin: a carotene epoxide that is precursor to capsanthin; one of 3 xanthophylls involved in evolution of plastids of green plants (oxygen evolution); 3 (violaxanthin, zeaxanthin & antheraxanthin) participate in series of photo-induced interconversions known as ''violaxanthin cycle''; structure; cleavage of 9-cis-epoxycarotenoids (violaxanthin) to xanthoxin, catalyzed by 9-cis-epoxycarotenoid dioxygenase, is the key regulatory step of ABSCISIC ACID biosynthesis. violaxanthin : An epoxycarotenol that is 5,5',6,6'-tetrahydro-5,6:5',6'-diepoxy-beta,beta-carotene substituted by hydroxy groups at positions 3 and 3'. It is the naturally occurring xanthophyll pigment found in a variety of plants.. all-trans-violaxanthin : The all-trans-stereoisomer of violaxanthin. | 2.05 | 1 | 0 | violaxanthin | food colouring |
| diethylstilbestrol Diethylstilbestrol: A synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed). diethylstilbestrol : An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups. | 2.64 | 3 | 0 | olefinic compound; polyphenol | antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen |
| epothilone a Epothilones: A group of 16-member MACROLIDES which stabilize MICROTUBULES in a manner similar to PACLITAXEL. They were originally found in the myxobacterium Sorangium cellulosum, now renamed to Polyangium (MYXOCOCCALES). | 4.76 | 9 | 0 | epothilone; epoxide | antineoplastic agent; metabolite; microtubule-stabilising agent; tubulin modulator |
| alitretinoin Alitretinoin: A retinoid that is used for the treatment of chronic hand ECZEMA unresponsive to topical CORTICOSTEROIDS. It is also used to treat cutaneous lesions associated with AIDS-related KAPOSI SARCOMA. | 2.05 | 1 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist |
| afimoxifene afimoxifene : A tertiary amino compound that is tamoxifen in which the phenyl group which is in a Z- relationship to the ethyl substituent is hydroxylated at the para- position. It is the active metabolite of tamoxifen. | 2.96 | 4 | 0 | phenols; tertiary amino compound | antineoplastic agent; estrogen receptor antagonist; metabolite |
| imidazolidines [no description available] | 9.76 | 9 | 0 | azacycloalkane; imidazolidines; saturated organic heteromonocyclic parent | |
| dioxirane [no description available] | 3.42 | 7 | 0 | ||
| aclarubicin Aclarubicin: An anthracycline produced by Streptomyces galilaeus. It has potent antineoplastic activity.. aclacinomycin A : An anthracycline antibiotic that is produced by Streptomyces galilaeus and also has potent antineoplastic activity. | 1.99 | 1 | 0 | aminoglycoside; anthracycline; methyl ester; phenols; polyketide; tetracenequinones; trisaccharide derivative; zwitterion | antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| 12-tungstophosphoric acid [no description available] | 2.03 | 1 | 0 | ||
| iridoids Iridoids: A type of MONOTERPENES, derived from geraniol. They have the general form of cyclopentanopyran, but in some cases, one of the rings is broken as in the case of secoiridoid. They are different from the similarly named iridals (TRITERPENES). | 2.42 | 2 | 0 | ||
| dactinomycin Dactinomycin: A compound composed of a two CYCLIC PEPTIDES attached to a phenoxazine that is derived from STREPTOMYCES parvullus. It binds to DNA and inhibits RNA synthesis (transcription), with chain elongation more sensitive than initiation, termination, or release. As a result of impaired mRNA production, protein synthesis also declines after dactinomycin therapy. (From AMA Drug Evaluations Annual, 1993, p2015) | 3.97 | 4 | 0 | actinomycin | mutagen |
| gamma-sitosterol clionasterol : A member of the class of phytosterols that is poriferast-5-ene carrying a beta-hydroxy substituent at position 3. | 2.74 | 3 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols | marine metabolite; plant metabolite |
| tiazofurin tiazofurin: RN given refers to (beta-D)-isomer; structure given in first source. tiazofurine : A C-glycosyl compound that is 1,3-thiazole-4-carboxamide in which the hydrogen at position 2 has been replaced by a beta-D-ribofuranosyl group. It is metabolised to thiazole-4-carboxamide adenine dinucleotide (TAD), a selective inhibitor of inosine monophosphate dehydrogenase (IMP dehydrogenase). | 2.02 | 1 | 0 | 1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide | antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug |
| enkephalin, leucine Enkephalin, Leucine: One of the endogenous pentapeptides with morphine-like activity. It differs from MET-ENKEPHALIN in the LEUCINE at position 5. Its first four amino acid sequence is identical to the tetrapeptide sequence at the N-terminal of BETA-ENDORPHIN.. Leu-enkephalin : A pentapeptide comprising L-tyrosine, glycine, glycine, L-phenylalanine and L-leucine residues joined in sequence by peptide linkages. It is an endogenous opioid peptide produced in vertebrate species, including rodents, primates and humans that results from decomposition of proenkephalin or dynorphin and exhibits antinociceptive properties. | 2.02 | 1 | 0 | pentapeptide; peptide zwitterion | analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite |
| schizandrin schizandrin: a dibenzocyclooctadiene lignan; schizandra is the plant name | 2.01 | 1 | 0 | ||
| riboflavin vitamin B2 : Any member of a group of vitamers that belong to the chemical structural class called flavins that exhibit biological activity against vitamin B2 deficiency. Symptoms associated with vitamin B2 deficiency include glossitis, seborrhea, angular stomaitis, cheilosis and photophobia. The vitamers include riboflavin and its phosphate derivatives (and includes their salt, ionised and hydrate forms). | 2.11 | 1 | 0 | flavin; vitamin B2 | anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite |
| potassium permanganate Potassium Permanganate: Permanganic acid (HMnO4), potassium salt. A highly oxidative, water-soluble compound with purple crystals, and a sweet taste. (From McGraw-Hill Dictionary of Scientific and Technical Information, 4th ed) | 8.21 | 6 | 0 | ||
| sodium bicarbonate Sodium Bicarbonate: A white, crystalline powder that is commonly used as a pH buffering agent, an electrolyte replenisher, systemic alkalizer and in topical cleansing solutions. | 2.46 | 2 | 0 | one-carbon compound; organic sodium salt | antacid; food anticaking agent |
| sodium benzoate Sodium Benzoate: The sodium salt of BENZOIC ACID. It is used as an antifungal preservative in pharmaceutical preparations and foods. It may also be used as a test for liver function.. sodium benzoate : An organic sodium salt resulting from the replacement of the proton from the carboxy group of benzoic acid by a sodium ion. | 2.11 | 1 | 0 | organic sodium salt | algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite |
| ammonium acetate ammonium acetate : An ammonium salt obtained by reaction of ammonia with acetic acid. A deliquescent white crystalline solid, it has a relatively low melting point (114degreeC) for a salt. Used as a food acidity regulator, although no longer approved for this purpose in the EU. | 2.05 | 1 | 0 | acetate salt; ammonium salt | buffer; food acidity regulator |
| zn(ii)-phthalocyanine [no description available] | 2.15 | 1 | 0 | metallophthalocyanine; zinc tetrapyrrole | fluorochrome |
| 2-nitrocyclohexanone 2-nitrocyclohexanone: structure in first source | 2.04 | 1 | 0 | ||
| spathulenol spathulenol: sesquiterpene alcohol isolated from essential oils of Artemisia vulgaris L. & Artemisia dracunculus L.. spathulenol : A tricyclic sesquiterpenoid that is 4-methylidenedecahydro-1H-cyclopropa[e]azulene carrying three methyl substituents at positions 1, 1 and 7 as well as a hydroxy substituent at position 7. | 3.04 | 4 | 0 | ||
| peroxybenzoic acid peroxybenzoic acid: dentavon forms perbenzoic acid in water; RN given refers to parent cpd; structure | 2.11 | 1 | 0 | ||
| oxazolidine oxazolidine: structure given in first source | 8.3 | 6 | 0 | oxazolidine | |
| cholestane-3,5,6-triol cholestane-3,5,6-triol: structure; RN given refers to cpd without isomeric designation | 1.99 | 1 | 0 | ||
| di-tert-butyldiaziridinone di-tert-butyldiaziridinone: structure in first source | 2.97 | 4 | 0 | ||
| 1,4,7-trimethyl-1,4,7-triazacyclononane [no description available] | 2.02 | 1 | 0 | ||
| paniculatine paniculatine: isolated from Lycopodium; structure in first source | 2.11 | 1 | 0 | ||
| (trifluoromethyl)-trimethylsilane (trifluoromethyl)-trimethylsilane: structure in first source | 2.78 | 3 | 0 | ||
| calix(4)arene calix(4)arene: a cyclophane consisting of four phenolic units linked by methylene groups; structure in first source | 2.77 | 3 | 0 | ||
| 2-tetradecylcyclobutanone 2-tetradecylcyclobutanone: structure in first source | 2.07 | 1 | 0 | cyclic ketone | |
| ferruginine ferruginine: norferruginine is a nicotinic acetylcholine receptor agonist; structure in first source | 2.06 | 1 | 0 | ||
| n-fluorobenzenesulfonimide N-fluorobenzenesulfonimide: structure in first source | 4.57 | 7 | 0 | ||
| diphenylbutadiene diphenylbutadiene: structure in first source | 2.08 | 1 | 0 | ||
| crinane crinane: structure in first source | 2.13 | 1 | 0 | ||
| xantphos xantphos: structure in first source | 3.01 | 4 | 0 | ||
| flustramine a flustramine A: from Flustra foliacea L.; exhibits muscle relaxant activity both in vivo & in vitro; structure given in first source | 2.03 | 1 | 0 | ||
| varitriol varitriol: from marine-derived strain of the fungus Emericella variecolor; structure in first source | 2.75 | 3 | 0 | ||
| camalexin camalexin : An indole phytoalexin that is indole substituted at position 3 by a 1,3-thiazol-2-yl group. | 2.03 | 1 | 0 | 1,3-thiazoles; indole phytoalexin | metabolite |
| crotonic acid crotonic acid: a stereospecific unsaturated carboxylic acid found in CROTON OIL. butenoic acid : Any C4, straight-chain fatty acid containing one double bond.. crotonic acid : A but-2-enoic acid with a trans- double bond at C-2. It has been isolated from Daucus carota. | 2.31 | 1 | 0 | 2-butenoic acid | plant metabolite |
| sch 642305 Sch 642305: a bicyclic 10-membered macrolide; bacterial DNA primase inhibitor produced by Penicillium verrucosum; structure in first source. sch 642305 : A macrocyclic lactone isolated from the fermentation broth of the fungal culture Penicillium verrucosum and has been shown to exhibit inhibitory activity against bacterial DNA primase enzyme. | 3.16 | 1 | 0 | enone; macrocyclic lactone | EC 2.7.7.6 (RNA polymerase) inhibitor; Penicillium metabolite |
| 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. | 2.8 | 3 | 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 |
| methyl cinnamate methyl cinnamate: RN given refers to cpd without isomeric designation. methyl cinnamate : A methyl ester resulting from the formal condensation of methyl cinnamic acid with methanol. It is found naturally in the essential oils of Alpinia and Basil leaf oil, and widely used in the flavor and perfume industries.. methyl trans-cinnamate : The E (trans) isomer of methyl cinnamate. | 2.06 | 1 | 0 | methyl cinnamate | antibacterial agent; fungal metabolite; nematicide; plant metabolite |
| anethole anethole: an isomer of estragole; structurally similar to CAPSAICIN; has some neurological and insecticidal and skin absorption effects; RN given refers to unspecified stereoisomer. anethole : A monomethoxybenzene that is methoxybenzene substituted by a prop-1-en-1-yl group at position 4.. trans-anethole : The trans-stereoisomer of anethole. | 2.93 | 4 | 0 | anethole | flavouring agent |
| 2,4-hexadienal 2,4-hexadienal: RN given refers to compound with no isomeric designation. hexadienal : An enal that is hexadiene carrying an oxo group at position 1.. (E,E)-2,4-hexadienal : A hexadienal that is hexanal with trans double bonds at positions 2 and 4. It is found in tomatoes, kiwi fruit, mangoes, potato chips, herbs and spices. | 2.06 | 1 | 0 | hexadienal; polyunsaturated fatty aldehyde; volatile organic compound | flavouring agent; plant metabolite |
| geraniol [no description available] | 3.47 | 7 | 0 | 3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol | allergen; fragrance; plant metabolite; volatile oil component |
| dimethyl fumarate [no description available] | 2.17 | 1 | 0 | diester; enoate ester; methyl ester | antipsoriatic; immunomodulator |
| glycosides [no description available] | 7.34 | 58 | 0 | ||
| 4-oxothiazolidine 4-oxothiazolidine: structure in first source | 2.15 | 1 | 0 | ||
| chalcone trans-chalcone : The trans-isomer of chalcone. | 4.36 | 6 | 0 | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
| sinapinic acid sinapinic acid: a matrix for matrix-assisted laser desorption technique for protein MW determination; a constituent of propolis. trans-sinapic acid : A sinapic acid in which the double bond has trans-configuration. | 2.11 | 1 | 0 | sinapic acid | MALDI matrix material; plant metabolite |
| isomethyleugenol Methylation: Addition of methyl groups. In histo-chemistry methylation is used to esterify carboxyl groups and remove sulfate groups by treating tissue sections with hot methanol in the presence of hydrochloric acid. (From Stedman, 25th ed) | 9 | 111 | 0 | isomethyleugenol | |
| piplartine piplartine: Antineoplastic Agent, Phytogenic; alkaloid from Piper; structure in first source | 2.46 | 2 | 0 | cinnamamides; dicarboximide | |
| 1,3,5,7-cyclooctatetraene 1,3,5,7-cyclooctatetraene: structure in first source. [8]annulene : An antiaromatic annulene that is cyclooctane having four double bonds at positions 1, 3, 5 and 7. | 2.08 | 1 | 0 | ||
| crotononitrile crotononitrile: RN given refers to cpd without isomeric designation | 2.02 | 1 | 0 | nitrile | |
| crotonyl alcohol crotonyl alcohol: RN given refers to cpd without isomeric designation. crotyl alcohol : A primary alcohol in which the hydroxy function is bonded to a CH3CH=CHCH2- (crotyl) group. | 2.01 | 1 | 0 | primary alcohol | |
| fumaronitrile [no description available] | 2.05 | 1 | 0 | ||
| citral citral: Xref geranial: geraniol is also available; Xref neral: nerol is also available; vitamin A antagonist; oxygenated monoterpene; inhibits cytosolic dehydrogenases; structure. citral : An enal that consists of octa-2,6-dienal bearing methyl substituents at positions 3 and 7. A mixture of the two geometric isomers geranial and neral, it is the major constituent (75-85%) of oil of lemon grass, the volatile oil of Cymbopogon citratus, or of C. flexuosus. It also occurs in oils of verbena, lemon, and orange. | 2.99 | 4 | 0 | enal; monoterpenoid; polyprenal | plant metabolite; volatile oil component |
| beta-ionone beta-ionone: stimulator of carotenogenesis; carotenoid inhibitor; intermediate in synthesis of Vit A; RN given refers to cpd without isomeric designation; structure. beta-ionone : An ionone that is but-3-en-2-one substituted by a 2,6,6-trimethylcyclohex-1-en-1-yl group at position 4. | 2.88 | 3 | 0 | ionone | antioxidant; fragrance |
| retinaldehyde Retinaldehyde: A diterpene derived from the carotenoid VITAMIN A which functions as the active component of the visual cycle. It is the prosthetic group of RHODOPSIN (i.e., covalently bonded to ROD OPSIN as 11-cis-retinal). When stimulated by visible light, rhodopsin transforms this cis-isomer of retinal to the trans-isomer (11-trans-retinal). This transformation straightens-out the bend of the retinal molecule and causes a change in the shape of rhodopsin triggering the visual process. A series of energy-requiring enzyme-catalyzed reactions convert the 11-trans-retinal back to the cis-isomer.. all-trans-retinal : A retinal in which all four exocyclic double bonds have E- (trans-) geometry. | 2.71 | 3 | 0 | retinal; vitamin A | gap junctional intercellular communication inhibitor; human metabolite; mouse metabolite |
| piperine piperine : A N-acylpiperidine that is piperidine substituted by a (1E,3E)-1-(1,3-benzodioxol-5-yl)-5-oxopenta-1,3-dien-5-yl group at the nitrogen atom. It is an alkaloid isolated from the plant Piper nigrum. | 2.77 | 3 | 0 | benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide | food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite |
| bicyclo(2.2.1)heptene bicyclo(2.2.1)heptene: structure in first source | 2.1 | 1 | 0 | bridged compound; carbobicyclic compound; cyclic olefin | |
| squalene Addavax: an oil-water nanoemulsion and adjuvant containing squalene, Tween 80, and sorbitane trioleate | 4.69 | 30 | 0 | triterpene | human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
| stilbenes Stilbenes: Organic compounds that contain 1,2-diphenylethylene as a functional group.. trans-stilbene : The trans-isomer of stilbene. | 6.89 | 51 | 0 | stilbene | |
| diethyl fumarate diethyl fumarate : A dieter obtained by the formal condensation of fumaric acid with ethanol. | 2.05 | 1 | 0 | diester | metabolite |
| phenyl-n-tert-butylnitrone phenyl-N-tert-butylnitrone: a spin-trapping agent | 2.42 | 2 | 0 | ||
| xanthohumol xanthohumol: from hop plant, Humulus lupulus. xanthohumol : A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and a prenyl group at position 3'. Isolated from Humulus lupulus, it induces apoptosis in human malignant glioblastoma cells. | 2.47 | 2 | 0 | aromatic ether; chalcones; polyphenol | anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite |
| prolinol prolinol: RN given refers to cpd without isomeric designation; structure. prolinol : An amino alcohol formed by reduction of the amino acid proline. | 2.46 | 2 | 0 | ||
| dibenzylidene acetone dibenzylidene acetone: structure in first source | 3.55 | 2 | 0 | ||
| 1,4-diphenylbutadiene [no description available] | 2.13 | 1 | 0 | styrenes | |
| mintlactone mintlactone: isolated from Mentha cardiaca structure in first source | 2.05 | 1 | 0 | ||
| schweinfurthin b schweinfurthin B: a geranyl stilbene from plant Macaranga schweinfurthii; structure in first source | 2.05 | 1 | 0 | ||
| ricinoleic acid ricinoleic acid: RN given refers to (R-(Z))-isomer; structure in Merck Index, 9th ed, #8005. ricinoleic acid : A (9Z)-12-hydroxyoctadec-9-enoic acid in which the 12-hydroxy group has R-configuration.. | 2.49 | 2 | 0 | (9Z)-12-hydroxyoctadec-9-enoic acid | |
| salicylihalamide a salicylihalamide A: structure in first source | 3.53 | 2 | 0 | ||
| flavin-adenine dinucleotide Flavin-Adenine Dinucleotide: A condensation product of riboflavin and adenosine diphosphate. The coenzyme of various aerobic dehydrogenases, e.g., D-amino acid oxidase and L-amino acid oxidase. (Lehninger, Principles of Biochemistry, 1982, p972) | 3.22 | 6 | 0 | flavin adenine dinucleotide; vitamin B2 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; prosthetic group |
| cannabidiol Cannabidiol: Compound isolated from Cannabis sativa extract.. cannabidiol : An cannabinoid that is cyclohexene which is substituted by a methyl group at position 1, a 2,6-dihydroxy-4-pentylphenyl group at position 3, and a prop-1-en-2-yl group at position 4. | 2.41 | 1 | 0 | olefinic compound; phytocannabinoid; resorcinols | antimicrobial agent; plant metabolite |
| pyrophosphate Diphosphates: Inorganic salts of phosphoric acid that contain two phosphate groups. | 4.48 | 24 | 0 | diphosphate ion | |
| sodium metabisulfite sodium metabisulfite: request from searcher; RN given refers to disulfurous acid, di-Na salt. sodium disulfite : An inorganic sodium salt composed of sodium and disulfite ions in a 2:1 ratio. | 2.17 | 1 | 0 | inorganic sodium salt | food antioxidant |
| nsc 4347 NSC 4347: structure in first source | 3.66 | 9 | 0 | ||
| sesquiterpenes [no description available] | 7.98 | 104 | 0 | ||
| thioinosine Thioinosine: Sulfhydryl analog of INOSINE that inhibits nucleoside transport across erythrocyte plasma membranes, and has immunosuppressive properties. It has been used similarly to MERCAPTOPURINE in the treatment of leukemia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p503) | 1.94 | 1 | 0 | ||
| caffeic acid trans-caffeic acid : The trans-isomer of caffeic acid. | 2.99 | 4 | 0 | caffeic acid | geroprotector; mouse metabolite |
| isoeugenol trans-isoeugenol : The trans-stereoisomer of isoeugenol. | 2.41 | 1 | 0 | isoeugenol | plant metabolite |
| 2-methoxy-4-prop-1-enylphenyl acetate 2-methoxy-4-prop-1-enylphenyl acetate: structure in first source. isoeugenol acetate : A phenylpropanoid that is the acetate ester of trans-isoeugenol. | 2 | 1 | 0 | monomethoxybenzene; phenyl acetates; phenylpropanoid | |
| tetrahydropalmatine [no description available] | 2.08 | 1 | 0 | ||
| 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. | 3.18 | 5 | 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 |
| rhodanine 2-mercaptothiazolinone: metabolite in urine from persons exposed to CS2; structure | 2.02 | 1 | 0 | thiazolidinone | |
| penicillic acid Penicillic Acid: A mycotoxin with antibiotic and carcinogenic activity produced by various strains of PENICILLIUM and ASPERGILLUS. It has been found in tobacco, sausages, and corn. | 2.25 | 1 | 0 | ||
| cinnarizine Cinnarizine: A piperazine derivative having histamine H1-receptor and calcium-channel blocking activity with vasodilating and antiemetic properties but it induces PARKINSONIAN DISORDERS. | 2.07 | 1 | 0 | diarylmethane; N-alkylpiperazine; olefinic compound | anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist |
| zucapsaicin [no description available] | 2.21 | 1 | 0 | methoxybenzenes; phenols | |
| capsaicin ALGRX-4975: an injectable capsaicin (TRPV1 receptor agonist) formulation for longlasting pain relief. capsaicinoid : A family of aromatic fatty amides produced as secondary metabolites by chilli peppers. | 2.97 | 4 | 0 | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker |
| enclomiphene Enclomiphene: The trans or (E)-isomer of clomiphene. | 3.74 | 3 | 0 | ||
| Jasmone jasmone: RN refers to (Z)-isomer; structure given in first source | 2.07 | 1 | 0 | cyclic ketone | |
| geranyl acetate geranyl acetate: constituted about 90% of the palmarosa oil. geranyl acetate : A monoterpenoid that is the acetate ester derivative of geraniol. | 2.1 | 1 | 0 | acetate ester; monoterpenoid | plant metabolite |
| 1-phenyl-2-nitropropene 1-phenyl-2-nitropropene: RN given refers to cpd without isomeric designation | 3.78 | 3 | 0 | ||
| oxazolone Oxazolone: Immunologic adjuvant and sensitizing agent. | 7.96 | 4 | 0 | ||
| caryophyllene oxide caryophyllene oxide: has butyrylcholinesterase inhibitory activity; structure in first source. epoxide : Any cyclic ether in which the oxygen atom forms part of a 3-membered ring. | 2.11 | 1 | 0 | epoxide | metabolite |
| chlorogenic acid caffeoylquinic acid: Antiviral Agent; structure in first source. chlorogenate : A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3. | 2.07 | 1 | 0 | cinnamate ester; tannin | food component; plant metabolite |
| thiobarbituric acid thiobarbituric acid: RN given refers to parent cpd. 2-thiobarbituric acid : A barbiturate, the structure of which is that of barbituric acid in which the oxygen at C-2 is replaced by sulfur. | 2.67 | 3 | 0 | barbiturates | allergen; reagent |
| 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. | 6.93 | 51 | 0 | one-carbon compound; thioureas; ureas | antioxidant; chromophore |
| D-fructopyranose [no description available] | 3.25 | 6 | 0 | cyclic hemiketal; D-fructose; fructopyranose | sweetening agent |
| methyllithium [no description available] | 2.03 | 1 | 0 | ||
| 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. | 8.71 | 9 | 0 | aminoxyls; piperidines | catalyst; ferroptosis inhibitor; radical scavenger |
| aflatoxin b aflatoxin B2: RN given refers to cpd without isomeric designation. aflatoxin B2 : An aflatoxin having a hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11. | 2.21 | 1 | 0 | aflatoxin | |
| selectfluor selectfluor: structure in first source | 2.49 | 2 | 0 | ||
| 1,3-dihydroxy-4,4,5,5-tetramethyl-2-(4-carboxyphenyl)tetrahydroimidazole 1,3-dihydroxy-4,4,5,5-tetramethyl-2-(4-carboxyphenyl)tetrahydroimidazole: intermediate in the synthesis of imidazolineoxyl N-oxides; partial structure given in first source | 2.11 | 1 | 0 | benzoic acid; imidazolines; organic radical | apoptosis inhibitor; radical scavenger |
| 2-phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide 2-phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide: partial structure given in first source; endothelium-derived relaxing factor antagonist | 2.02 | 1 | 0 | ||
| tamoxifen [no description available] | 5.37 | 18 | 0 | stilbenoid; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator |
| hydroxypropyl-gamma-cyclodextrin [no description available] | 1.98 | 1 | 0 | ||
| bis(pinacolato)diboron [no description available] | 2.01 | 1 | 0 | 1,3,2-dioxaborolane | EC 3.4.24.24 (gelatinase A) inhibitor |
| lithium bis(trimethylsilyl)amide lithium bis(trimethylsilyl)amide: structure in first source | 2.02 | 1 | 0 | ||
| methyltrioxorhenium methyltrioxorhenium VII: reagent used as an oxidation catalyst for a wide range of materials | 3.67 | 9 | 0 | ||
| tetraoctylammonium bromide tetraoctylammonium bromide: a phase transfer reagent | 2.1 | 1 | 0 | ||
| 1-butyl-2,3-dimethylimidazolium 1-butyl-2,3-dimethylimidazolium: structure in first source | 2.1 | 1 | 0 | ||
| 1-butyl-3-methylimidazolium hexafluorophosphate 1-butyl-3-methylimidazolium hexafluorophosphate: structure in first source | 2.72 | 3 | 0 | ||
| 1-butyl-3-methylimidazolium tetrafluoroborate [no description available] | 2.01 | 1 | 0 | ||
| nadp [no description available] | 6.49 | 36 | 0 | ||
| scandium triflate scandium triflate: structure in first source | 2.46 | 2 | 0 | ||
| galactal galactal: RN given refers to cpd with unspecified isomeric designation; structure | 2.08 | 1 | 0 | anhydrohexose; glycal | |
| 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) | 2.78 | 3 | 0 | ||
| 2,3,3,3-tetrafluoropropene 2,3,3,3-tetrafluoropropene: structure in first source | 2.05 | 1 | 0 | ||
| 3,4-diaminocyclobut-3-ene-1,2-dione 3,4-diaminocyclobut-3-ene-1,2-dione: structure in first source | 3.31 | 5 | 0 | ||
| krn 7000 KRN 7000: has an alpha-galactosylceramide structure; structure given in first source. alpha-galactosylceramide : A galactosylceramide in which the galactosyl residue has alpha anomeric conofiguration.. 1-O-(alpha-D-galactosyl)-N-hexacosanoylphytosphingosine : A glycophytoceramide having an alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. | 2.99 | 4 | 0 | glycophytoceramide; N-acyl-beta-D-galactosylphytosphingosine | allergen; antigen; antineoplastic agent; epitope; immunological adjuvant |
| 2-(4'-(methylamino)phenyl)-6-hydroxybenzothiazole 2-(4'-(methylamino)phenyl)-6-hydroxybenzothiazole: an amyloid imaging agent; structure in first source | 2.83 | 3 | 0 | ||
| valinomycin Valinomycin: A cyclododecadepsipeptide ionophore antibiotic produced by Streptomyces fulvissimus and related to the enniatins. It is composed of 3 moles each of L-valine, D-alpha-hydroxyisovaleric acid, D-valine, and L-lactic acid linked alternately to form a 36-membered ring. (From Merck Index, 11th ed) Valinomycin is a potassium selective ionophore and is commonly used as a tool in biochemical studies.. valinomycin : A twelve-membered cyclodepsipeptide composed of three repeating D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl units joined in sequence. An antibiotic found in several Streptomyces strains. | 1.95 | 1 | 0 | cyclodepsipeptide; macrocycle | antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore |
| u 0126 U 0126: protein kinase kinase inhibitor; structure in first source | 2.03 | 1 | 0 | aryl sulfide; dinitrile; enamine; substituted aniline | antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent |
| 2',3'-didehydro-3'-deoxy-4'-ethynylthymidine 2',3'-didehydro-3'-deoxy-4'-ethynylthymidine: a highly active anti-HIV agent; structure in first source | 2.11 | 1 | 0 | ||
| laccase Laccase: A copper-containing oxidoreductase enzyme that catalyzes the oxidation of 4-benzenediol to 4-benzosemiquinone. It also has activity towards a variety of O-quinols and P-quinols. It primarily found in FUNGI and is involved in LIGNIN degradation, pigment biosynthesis and detoxification of lignin-derived products. | 2.52 | 2 | 0 | ||
| glycylproline Gly-Pro : A dipeptide consisting of L-proline having a glycyl residue attached to its alpha-amino group. | 2.52 | 2 | 0 | dipeptide zwitterion; dipeptide | metabolite |
| azoester azoester: causes hemolysis of human erythrocytes containing carbon monoxyhemoglobin; in those containing oxyhemoglobin instead, causes denaturation of intracellular constituents rather than membrance damage; thiol agent; structure | 2.47 | 2 | 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. | 7.63 | 45 | 0 | alkali metal atom | |
| goitrin goitrin: RN given refers to cpd with unspecified isomeric designation. (R)-goitrin : A 5-ethenyl-1,3-oxazolidine-2-thione that has R-configuration. It is a constituent of a traditional Chinese herbal medicine, Radix isatidis. | 1.98 | 1 | 0 | 5-ethenyl-1,3-oxazolidine-2-thione | antiviral agent; plant metabolite |
| 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. | 2.06 | 1 | 0 | cobalt salt; inorganic chloride | allergen; calcium channel blocker; sensitiser; two-colour indicator |
| nitrogen dioxide Nitrogen Dioxide: Nitrogen oxide (NO2). A highly poisonous gas. Exposure produces inflammation of lungs that may only cause slight pain or pass unnoticed, but resulting edema several days later may cause death. (From Merck, 11th ed) It is a major atmospheric pollutant that is able to absorb UV light that does not reach the earth's surface. | 10.26 | 17 | 0 | nitrogen oxide | |
| phosphamidon Phosphamidon: An organophosphate cholinesterase inhibitor that is used as an insecticide. | 1.94 | 1 | 0 | ||
| thiouridine Thiouridine: A photoactivable URIDINE analog that is used as an affinity label.. 4-thiouridine : A thiouridine in which the oxygen replaced by sulfur is that at C-4. | 3.04 | 1 | 0 | nucleoside analogue; thiouridine | affinity label; antimetabolite |
| 1-(4-hydroxyphenyl)-1,2-diphenyl-1-butene 1-(4-hydroxyphenyl)-1,2-diphenyl-1-butene: structure given in first source | 4.2 | 5 | 0 | stilbenoid | |
| gestodene Gestodene: synthetic steroid with progestational activity; RN given refers to (17alpha)-isomer | 2.01 | 1 | 0 | steroid | estrogen |
| quinine [no description available] | 8.77 | 10 | 0 | cinchona alkaloid | antimalarial; muscle relaxant; non-narcotic analgesic |
| methyl radical [no description available] | 2.25 | 1 | 0 | organic radical | |
| cystine [no description available] | 2.59 | 2 | 0 | ||
| safingol safingol: RN given refers to the (R-(R*,S*))-isomer | 2.44 | 2 | 0 | amino alcohol | |
| tert-butoxy tert-butoxy: structure given in first source | 2.4 | 2 | 0 | ||
| 1-deoxyfructose 1-deoxyfructose: RN given refers to (D)-isomer | 2.06 | 1 | 0 | organic molecular entity | |
| calixarenes Calixarenes: Phenolic metacyclophanes derived from condensation of PHENOLS and ALDEHYDES. The name derives from the vase-like molecular structures. A bracketed [n] indicates the number of aromatic rings.. calixarenes : Originally macrocyclic compounds capable of assuming a basket (or "calix") shaped conformation. They are formed from p-hydrocarbyl phenols and formaldehyde. The term now applies to a variety of derivatives by substitution of the hydrocarbon cyclo{oligo[(1,3-phenylene)methylene]}.. calixarene : A macrocycle composed of 1,3-phenylene groups linked by methylene groups. The number of 1,3-phenylene units in the macrocycle is denoted by the "n" in calix[n]arene name. | 4.98 | 11 | 0 | ||
| cytellin cytellin: a phytosterol preparation of mainly B-sitosterol, that was marketed by Eli Lilly to lower cholesterol 1957 to 1982 | 2.97 | 4 | 0 | ||
| phosphonic acid phosphonic acid : A phosphorus oxoacid that consists of a single pentavalent phosphorus covalently bound via single bonds to a single hydrogen and two hydroxy groups and via a double bond to an oxygen. The parent of the class of phosphonic acids. | 2.15 | 1 | 0 | ||
| momilactone b momilactone B: structure in first source | 2.31 | 1 | 0 | organic heterotricyclic compound; organooxygen compound | |
| ginsenosides ginsenoside : Triterpenoid saponins with a dammarane-like skeleton originally isolated from ginseng (Panax) species. Use of the term has been extended to include semi-synthetic derivatives. | 2.89 | 3 | 0 | ||
| zamifenacin zamifenacin: zamifenacin is the (R)-isomer; RN given for (+-)-isomer; structure in first source | 2.25 | 1 | 0 | diarylmethane | |
| ovalbumin Ovalbumin: An albumin obtained from the white of eggs. It is a member of the serpin superfamily. | 2.13 | 1 | 0 | ||
| tert-butanesulfinamide tert-butanesulfinamide: structure in first source | 7.07 | 1 | 0 | ||
| sodium dodecyl sulfate Sodium Dodecyl Sulfate: An anionic surfactant, usually a mixture of sodium alkyl sulfates, mainly the lauryl; lowers surface tension of aqueous solutions; used as fat emulsifier, wetting agent, detergent in cosmetics, pharmaceuticals and toothpastes; also as research tool in protein biochemistry.. sodium dodecyl sulfate : An organic sodium salt that is the sodium salt of dodecyl hydrogen sulfate. | 2.71 | 3 | 0 | organic sodium salt | detergent; protein denaturant |
| mucocin mucocin: an acetogenin from Annonaceae; structure in first source | 2.02 | 1 | 0 | polyketide | |
| bemp phosphazene BEMP phosphazene: structure in first source | 2.08 | 1 | 0 | ||
| dimethyldithiocarbamate Dimethyldithiocarbamate: A chemical that acts as a dopamine beta-hydroxylase inhibitor. Its salts are agricultural fungicides. It is inferior to diethyldithiocarbamate as a chelating agent.. dimethyldithiocarbamate : A member of the class of dithiocarbamate anions resulting from the removal of the proton from the dithiocarbamic acid moiety of dimethyldithiocarbamic acid. The major species at pH 7.3. | 2 | 1 | 0 | dithiocarbamate anions | |
| chloramine-t chloramine-T: RN given refers to unlabeled parent cpd. chloramine T : An organic sodium salt derivative of toluene-4-sulfonamide with a chloro substituent in place of an amino hydrogen. | 2.73 | 3 | 0 | organic sodium salt | allergen; antifouling biocide; disinfectant |
| alpha-chymotrypsin Chymotrypsin: A serine endopeptidase secreted by the pancreas as its zymogen, CHYMOTRYPSINOGEN and carried in the pancreatic juice to the duodenum where it is activated by TRYPSIN. It selectively cleaves aromatic amino acids on the carboxyl side. | 2.11 | 1 | 0 | ||
| 2-ethynylaniline 2-ethynylaniline: structure in first source | 2.06 | 1 | 0 | ||
| 2-amino-1,8-naphthyridine 2-amino-1,8-naphthyridine: structure in first source | 2.15 | 1 | 0 | ||
| 17-ketosteroids 17-Ketosteroids: Steroids that contain a ketone group at position 17.. 17-oxo steroid : Any oxo steroid carrying the oxo group at position 17. | 1.95 | 1 | 0 | ||
| naphthoquinones Naphthoquinones: Naphthalene rings which contain two ketone moieties in any position. They can be substituted in any position except at the ketone groups. | 5.29 | 16 | 0 | ||
| sodium borohydride sodium borohydride: RN given refers to parent cpd | 3.59 | 8 | 0 | inorganic sodium salt; metal tetrahydridoborate | |
| seryl-proline Ser-Pro : A dipeptide formed from L-serine and L-proline residues. | 2.01 | 1 | 0 | dipeptide | metabolite |
| 4-cresol sulfate p-cresol sulfate : An aryl sulfate that is p-cresol in which the phenolic hydrogen has been replaced by a sulfo group. | 2.21 | 1 | 0 | aryl sulfate | gut flora metabolite; human metabolite; uremic toxin |
| merbarone merbarone: structure given in first source | 2.68 | 3 | 0 | ||
| 2-mercaptoacetate 2-mercaptoacetate: RN given refers to parent cpd | 1.92 | 1 | 0 | monocarboxylic acid anion | |
| 9-mesityl-10-methylacridinium 9-mesityl-10-methylacridinium: structure in first source | 2.1 | 1 | 0 | ||
| 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. | 2.01 | 1 | 0 | ethyl ester; maleate ester | glutathione depleting agent |
| tanikolide tanikolide: structure in first source | 2.07 | 1 | 0 | ||
| sphingosine sphing-4-enine : A sphingenine in which the C=C double bond is located at the 4-position.. sphingenine : A 2-aminooctadecene-1,3-diol having (2S,3R)-configuration.. sphingoid : Sphinganine, its homologs and stereoisomers, and the hydroxy and unsaturated derivatives of these compounds.. 2-aminooctadec-4-ene-1,3-diol : A 2-aminooctadecene-1,3-diol having its double bond at position 4. | 4.81 | 10 | 0 | sphing-4-enine | human metabolite; mouse metabolite |
| quercetin [no description available] | 2.76 | 3 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger |
| bilirubin [no description available] | 2.86 | 4 | 0 | biladienes; dicarboxylic acid | antioxidant; human metabolite; mouse metabolite |
| dinoprostone prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins. | 2.79 | 3 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
| dinoprost Dinoprost: A naturally occurring prostaglandin that has oxytocic, luteolytic, and abortifacient activities. Due to its vasocontractile properties, the compound has a variety of other biological actions.. prostaglandin F2alpha : A prostaglandins Falpha that is prosta-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15. It is a naturally occurring prostaglandin used to induce labor. | 2 | 1 | 0 | monocarboxylic acid; prostaglandins Falpha | human metabolite; mouse metabolite |
| 12-oxophytodienoic acid 12-oxophytodienoic acid: structure given in first source; a jasmonate precursor that induces phytoalexin synthesis | 2.15 | 1 | 0 | carbocyclic fatty acid; olefinic fatty acid; oxo carboxylic acid | |
| apigenin Chamomile: Common name for several daisy-like plants (MATRICARIA; TRIPLEUROSPERMUM; ANTHEMIS; CHAMAEMELUM) native to Europe and Western Asia, now naturalized in the United States and Australia. | 2.01 | 1 | 0 | trihydroxyflavone | antineoplastic agent; metabolite |
| linoleic acid Linoleic Acid: A doubly unsaturated fatty acid, occurring widely in plant glycosides. It is an essential fatty acid in mammalian nutrition and is used in the biosynthesis of prostaglandins and cell membranes. (From Stedman, 26th ed). linoleic acid : An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry. | 3.41 | 7 | 0 | octadecadienoic acid; omega-6 fatty acid | algal metabolite; Daphnia galeata metabolite; plant metabolite |
| calcitriol dihydroxy-vitamin D3: as a major in vitro metabolite of 1alpha,25-dihydroxyvitamin D3, produced in primary cultures of neonatal human keratinocytes | 2.49 | 2 | 0 | D3 vitamins; hydroxycalciol; triol | antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical |
| pinosylvin pinosylvin: phytoalexin found in pine and eucalyptus | 2.02 | 1 | 0 | pinosylvin | |
| vomifoliol blumenol A: a phytotoxin isolated from Oryza sativa Awaakamai; structure in first source. vomifoliol : A fenchane monoterpenoid that is 3,5,5-trimethylcyclohex-2-en-1-one substituted by a hydroxy and a (1E)-3-hydroxybut-1-en-1-yl group at position 4.. (6S,9R)-vomifoliol : A (6S)-vomifoliol with a R configuration for the hydroxy group at position 9. | 2.05 | 1 | 0 | (6S)-vomifoliol | metabolite; phytotoxin |
| vitamin k semiquinone radical vitamin K semiquinone radical: found in active preparations of vitamin K-dependent carboxylase. vitamin K : Any member of a group of fat-soluble 2-methyl-1,4-napthoquinones that exhibit biological activity against vitamin K deficiency. Vitamin K is required for the synthesis of prothrombin and certain other blood coagulation factors. | 3.65 | 10 | 0 | ||
| beta carotene beta Carotene: A carotenoid that is a precursor of VITAMIN A. Beta carotene is administered to reduce the severity of photosensitivity reactions in patients with erythropoietic protoporphyria (PORPHYRIA, ERYTHROPOIETIC).. provitamin A : A provitamin that can be converted into vitamin A by enzymes from animal tissues. | 4.05 | 4 | 0 | carotenoid beta-end derivative; cyclic carotene | antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A |
| leukotriene c4 Leukotriene C4: The conjugation product of LEUKOTRIENE A4 and glutathione. It is the major arachidonic acid metabolite in macrophages and human mast cells as well as in antigen-sensitized lung tissue. It stimulates mucus secretion in the lung, and produces contractions of nonvascular and some VASCULAR SMOOTH MUSCLE. (From Dictionary of Prostaglandins and Related Compounds, 1990). leukotriene C4 : A leukotriene that is (5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid in which a glutathionyl group is attached at position 6 via a sulfide linkage. | 2.11 | 1 | 0 | leukotriene | bronchoconstrictor agent; human metabolite; mouse metabolite |
| thromboxane a2 Thromboxane A2: An unstable intermediate between the prostaglandin endoperoxides and thromboxane B2. The compound has a bicyclic oxaneoxetane structure. It is a potent inducer of platelet aggregation and causes vasoconstriction. It is the principal component of rabbit aorta contracting substance (RCS).. thromboxane A2 : A thromboxane which is produced by activated platelets and has prothrombotic properties: it stimulates activation of new platelets as well as increases platelet aggregation. | 2.4 | 2 | 0 | epoxy monocarboxylic acid; thromboxanes A | mouse metabolite |
| rosin rosin: Resin from plant. Do not confuse with the specific compound: 3-phenyl-2-propenyl-(E)-beta-D-glucopyranoside, also know as rosin. | 7.05 | 1 | 0 | ||
| 15-ketoprostaglandin e2 15-ketoprostaglandin E2: metabolite of PGE2; RN given refers to (5Z,11alpha,13E)-isomer | 2.11 | 1 | 0 | prostaglandins E | |
| alprostadil [no description available] | 3.12 | 1 | 0 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
| cholecalciferol Cholecalciferol: Derivative of 7-dehydroxycholesterol formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. It differs from ERGOCALCIFEROL in having a single bond between C22 and C23 and lacking a methyl group at C24.. calciol : A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone. | 1.94 | 1 | 0 | D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone | geroprotector; human metabolite |
| 6-ketoprostaglandin f1 alpha 6-Ketoprostaglandin F1 alpha: The physiologically active and stable hydrolysis product of EPOPROSTENOL. Found in nearly all mammalian tissue.. 6-oxoprostaglandin F1alpha : A prostaglandin Falpha that is prostaglandin F1alpha bearing a keto substituent at the 6-position. | 1.98 | 1 | 0 | prostaglandins Falpha | human metabolite; mouse metabolite |
| arachidonic acid omega-9 hydroperoxide 12-HPETE: RN given refers to cpd without isomeric designation; 12-HPETE may be used inconsistently in literature as synonym for cpds with various tetraene-locants; caused dose-dependent constriction of cat coronary arteries. 12(S)-HPETE : The (S)-enantiomer of 12-HPETE. | 1.97 | 1 | 0 | HPETE | mouse metabolite |
| lipoxin a4 lipoxin A4: an antifibrolytic agent; structure given in first source; a role in ASPIRIN antiinflammatory activity. lipoxin A4 : A C20 hydroxy fatty acid having (5S)-, (6R)- and (15S)-hydroxy groups as well as (7E)- (9E)-, (11Z)- and (13E)-double bonds. | 1.96 | 1 | 0 | hydroxy polyunsaturated fatty acid; lipoxin; long-chain fatty acid | human metabolite; metabolite |
| alpha-linolenic acid linolenic acid : A two-membered subclass of octadecatrienoic acid comprising the (9Z,12Z,15Z)- and (6Z,9Z,12Z)-isomers. Linolenic acids are nutrients essential to the formation of prostaglandins and are also used in making paints and synthetic resins.. linolenate : A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of either alpha- or gamma-linolenic acid. | 2.06 | 1 | 0 | linolenic acid; omega-3 fatty acid | micronutrient; mouse metabolite; nutraceutical |
| 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. | 6.53 | 27 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
| kava Kava: Dried rhizome and roots of Piper methysticum, a shrub native to Oceania and known for its anti-anxiety and sedative properties. Heavy usage results in some adverse effects. It contains ALKALOIDS; LACTONES; kawain, methysticin, mucilage, STARCH, and yangonin. Kava is also the name of the pungent beverage prepared from the plant's roots. | 3.12 | 1 | 0 | ||
| cornexistin cornexistin: from Paecilomyces variotii; structure given in first source. 14-dihydroxycornestin : A cyclic dicarboxylic anhydride that is 5,6,7,8,9,10-hexahydro-1H-cyclonona[c]furan-1,3(4H)-dione substituted by an ethylidene group at position 9, hydroxy groups at position 5 and 8, a propyl group at position 4 and an oxo group at position 6. | 2.51 | 2 | 0 | cyclic dicarboxylic anhydride; organic heterobicyclic compound; secondary alpha-hydroxy ketone | herbicide; metabolite |
| jasmonic acid jasmonic acid: a derivative of alpha-linolenic acid that has a role in plant response to herbivory analogous to the role of prostanoids in inflammation in mammals;. jasmonic acid : An oxo monocarboxylic acid that is (3-oxocyclopentyl)acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 of the cyclopentane ring. | 4.09 | 14 | 0 | oxo monocarboxylic acid | jasmonates; plant metabolite |
| 2-hexenal, z-isomer 2-hexenal: product of lipid peroxidation in the rat liver; a green odor chemical; do not confuse with the hexabarbital synonym, hexenal; RN given refers to cpd without isomeric designation. 2-hexenal : A hexenal having the double bond at the 2-position.. (2E)-hexenal : A 2-hexenal in which the olefinic double bond has E configuration. It occurs naturally in a wide range of fruits, vegetables, and spices. | 2.07 | 1 | 0 | 2-hexenal | antibacterial agent; flavouring agent; plant metabolite |
| pinolidoxin pinolidoxin: structure in first source | 4.51 | 7 | 0 | oxacycle | |
| lutein Lutein: A xanthophyll found in the major LIGHT-HARVESTING PROTEIN COMPLEXES of plants. Dietary lutein accumulates in the MACULA LUTEA.. xanthophyll : A subclass of carotenoids consisting of the oxygenated carotenes. | 1.94 | 1 | 0 | carotenol | food colouring; plant metabolite |
| mammeisin [no description available] | 1.94 | 1 | 0 | neoflavonoid | metabolite |
| alpha-farnesene alpha-farnesene: structure given in first source. alpha-farnesene : A farnesene that is 1,3,6,10-tetraene substituted by methyl groups at positions 3, 7 and 11 respectively.. farnesene : A sesquiterpene that is any of the four possible isomers of 3,7,11-trimethyl-1,3,6,10-dodecatetraene (alpha-farnesene) or of the two possible isomers of 7,11-dimethyl-3-methylene-1,6,10-dodecatriene. | 3.58 | 8 | 0 | alpha-farnesene | |
| humulene humulene: structure given in first source. (1E,4E,8E)-alpha-humulene : The (1E,4E,8E)-isomer of alpha-humulene. | 4.18 | 15 | 0 | alpha-humulene | |
| oleuropein oleuropein: iridoid isolated from leaves and fruit of Olea and Ligustrum (Oleaceae). oleuropein : A secoiridoid glycoside that is the methyl ester of 3,4-dihydro-2H-pyran-5-carboxylic acid which is substituted at positions 2, 3, and 4 by hydroxy, ethylidene, and carboxymethyl groups, respectively and in which the anomeric hydroxy group at position 2 has been converted into its beta-D-glucoside and the carboxylic acid moiety of the carboxymethyl substituent has been converted to the corresponding 3,4-dihydroxyphenethyl ester (the 2S,3E,4S stereoisomer). The most important phenolic compound present in olive cultivars. | 2.02 | 1 | 0 | beta-D-glucoside; catechols; diester; methyl ester; pyrans; secoiridoid glycoside | anti-inflammatory agent; antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; NF-kappaB inhibitor; nutraceutical; plant metabolite; radical scavenger |
| chrysin chrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7. | 2.44 | 2 | 0 | 7-hydroxyflavonol; dihydroxyflavone | anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite |
| chicoric acid chicoric acid: inhibits HIV-1 integrase | 2.07 | 1 | 0 | organooxygen compound | geroprotector; HIV-1 integrase inhibitor |
| echinacoside echinacoside: from Buddleja species; has antihepatotoxic activity | 2.07 | 1 | 0 | oligosaccharide | |
| rosmarinic acid rosmarinic acid: RN given refers to parent cpd; promote OT project. (R)-rosmarinic acid : A stereoisomer of rosmarinic acid having (R)-configuration.. rosmarinic acid : The 1-carboxy-2-(2,4-dihydroxyphenyl)ethyl ester of trans-caffeic acid. | 4.62 | 7 | 0 | rosmarinic acid | geroprotector; plant metabolite |
| salvianolic acid a salvianolic acid A: a nootropic depside from Salvia miltiorrhizia | 8.83 | 106 | 0 | stilbenoid | |
| maytansine Maytansine: An ansa macrolide isolated from the MAYTENUS genus of East African shrubs.. maytansine : An organic heterotetracyclic compound and 19-membered macrocyclic lactam antibiotic originally isolated from the Ethiopian shrub Maytenus serrata but also found in other Maytenus species. It exhibits cytotoxicity against many tumour cell lines. | 2.05 | 1 | 0 | alpha-amino acid ester; carbamate ester; epoxide; maytansinoid; organic heterotetracyclic compound; organochlorine compound | antimicrobial agent; antimitotic; antineoplastic agent; plant metabolite; tubulin modulator |
| ellagic acid [no description available] | 2.47 | 2 | 0 | catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol | antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent |
| ginkgolic acid [no description available] | 2.17 | 1 | 0 | hydroxybenzoic acid | |
| soraphen a [no description available] | 2.41 | 1 | 0 | cyclic hemiketal; ether; macrolide; olefinic compound | bacterial metabolite; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; teratogenic agent |
| coenzyme q10 coenzyme Q10: Ubiquinone ring with a chain of 10 isoprene units; redox equilibrium with ubiqunol serving in mitochondrial inner membrane to transfer electrons; presence during reconstitution of acetylcholine receptor into phospholipid vesicles yields vesicles active in catalyzing carbamylcholine-sensitive Na+ flux; coenzyme Q10 depletion has been noted with use of statins. coenzyme Q10 : A ubiquinone having a side chain of 10 isoprenoid units. In the naturally occurring isomer, all isoprenyl double bonds are in the E- configuration. | 2.44 | 2 | 0 | ubiquinones | antioxidant; ferroptosis inhibitor; human metabolite |
| anandamide anandamide : An N-acylethanolamine 20:4 resulting from the formal condensation of carboxy group of arachidonic acid with the amino group of ethanolamine. | 2.8 | 3 | 0 | endocannabinoid; N-acylethanolamine 20:4 | human blood serum metabolite; neurotransmitter; vasodilator agent |
| cerulenin Cerulenin: An epoxydodecadienamide isolated from several species, including ACREMONIUM, Acrocylindrum, and Helicoceras. It inhibits the biosynthesis of several lipids by interfering with enzyme function.. cerulenin : An epoxydodecadienamide isolated from several species, including Acremonium, Acrocylindrum and Helicoceras. It inhibits the biosynthesis of several lipids by interfering with enzyme function. | 2.07 | 1 | 0 | epoxide; monocarboxylic acid amide | antifungal agent; antiinfective agent; antilipemic drug; antimetabolite; antimicrobial agent; fatty acid synthesis inhibitor |
| mycolactone mycolactone: toxin from Mycobacterium ulcerans required for virulence | 2.46 | 2 | 0 | macrolide | |
| cinnamyl acetate cinnamyl acetate: structure in first source. cinnamyl acetate : An acetate ester resulting from the formal condensation of cinnamyl alcohol with acetic acid. Found in cinnamon leaf oil. | 2.1 | 1 | 0 | acetate ester | plant metabolite |
| 10-nitro-9,12-octadecadienoic acid 10-nitro-9,12-octadecadienoic acid: a nitric oxide donor; structure in first source | 2.74 | 3 | 0 | nitro fatty acid; octadecadienoic acid | |
| glyceryl 2-arachidonate glyceryl 2-arachidonate: binds to cannabinoid receptors; structure in first source. 2-arachidonoylglycerol : An endocannabinoid and an endogenous agonist of the cannabinoid receptors (CB1 and CB2). It is an ester formed from omega-6-arachidonic acid and glycerol. | 2.76 | 3 | 0 | 2-acylglycerol 20:4; endocannabinoid | human metabolite |
| 1-palmitoyl-2-oleoylphosphatidylethanolamine 1-palmitoyl-2-oleoylphosphatidylethanolamine: RN given refers to (Z)-isomer; RN for cpd without isomeric designation not available 12/88. 1-palmitoyl-2-oleoyl phosphatidylethanolamine : A phosphatidylethanolamine in which the phosphatidyl acyl groups at C-1 and C-2 are palmitoyl and oleoyl respectively. | 1.99 | 1 | 0 | (18R,21S)-24-amino-21-hydroxy-21-oxido-15-oxo-16,20,22-trioxa-21lambdalambda(5)-phosphatetracosan-18-yl icosanoate; phosphatidylethanolamine | |
| zinostatin Zinostatin: An enediyne that alkylates DNA and RNA like MITOMYCIN does, so it is cytotoxic. | 2 | 1 | 0 | ||
| cis-vaccenic acid cis-vaccenic acid: isomer of oleic acid. vaccenic acid : An octadecenoic acid having a double bond at position 11; and which can occur in cis- or trans- configurations.. cis-vaccenic acid : The cis isomer of vaccenic acid. | 2.13 | 1 | 0 | vaccenic acid | |
| 9-hydroxy-10,12-octadecadienoic acid 9-hydroxy-10,12-octadecadienoic acid: RN given refers to unspecified stereoisomer. 9-HODE : A HODE that consists of (10E,12Z)-octadecadienoic acid with the hydroxy substituent located at position 9. | 2 | 1 | 0 | HODE; octadecadienoic acid | human metabolite; metabolite; mouse metabolite; plant metabolite |
| thromboxane b2 Thromboxane B2: A stable, physiologically active compound formed in vivo from the prostaglandin endoperoxides. It is important in the platelet-release reaction (release of ADP and serotonin).. thromboxane B2 : A member of the class of thromboxanes B that is (5Z,13E)-thromboxa-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15. | 2.42 | 2 | 0 | thromboxanes B | human metabolite; mouse metabolite |
| 4-hydroxy-2-hexenal 4-hydroxy-2-hexenal: metabolite from senecionine; RN given refers to cpd without isomeric designation | 2.42 | 2 | 0 | fatty aldehyde | |
| 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. | 1.98 | 1 | 0 | oct-2-enal | antifungal agent; volatile oil component |
| 2,4-octadienal 2,4-octadienal: structure in first source | 2.03 | 1 | 0 | fatty aldehyde | |
| 4-hydroxy-2-octenal 4-hydroxy-2-octenal: RN given refers to cpd without isomeric designation | 1.96 | 1 | 0 | fatty aldehyde | |
| 4-hydroxy-2-nonenal 4-hydroxy-2-nonenal: cytotoxic product from peroxidation of liver microsomal lipids; RN given refers to cpd without isomeric designation. 4-hydroxynon-2-enal : An enal consisting of non-2-ene having an oxo group at the 1-position and a hydroxy group at the 4-position.. 4-hydroxynonenal : A monounsaturated fatty aldehyde that is nonanal that has undergone dehydrogenation to introduce a double bond at any position in the aliphatic chain and in which a hydrogen at position 4 has been replaced by a hydroxy group. | 4.14 | 16 | 0 | 4-hydroxynon-2-enal; 4-hydroxynonenal | |
| (2e)-decenal (2E)-decenal: structure in first source. (2E)-dec-2-enal : A dec-2-enal in which the olefinic double bond has E configuration. | 4.68 | 26 | 0 | 2-decenal | alarm pheromone; mutagen; nematicide |
| 2,4-decadienal (2E,4E)-deca-2,4-dienal : A polyunsaturated fatty aldehyde that is decanal which has undergone formal dehydrogenation to introduce trans- double bonds at the 2-3 and 4-5 positions. A product of lipid peroxidation in cell membranes and a component of cooking oil fumes. | 2.49 | 2 | 0 | polyunsaturated fatty aldehyde | apoptosis inducer; nematicide |
| (2e)-undecenal (2E)-undecenal: structure in first source. (E)-2-undecenal : A 2-undecenal in which the C=C bond has E configuration.. undecenal : A monounsaturated fatty aldehyde that is undecanal which has undergone formal dehydrogenation to introduce a double bond at unspecified position.. 2-undecenal : An undecenal in which the C=C bond is located at the 2-3 position. | 3.4 | 6 | 0 | 2-undecenal | |
| 1-monooleoyl-rac-glycerol Peceol: lipid excipient containing readily dispersible mixture of mono- & diglycerides of oleic acid. 1-oleoylglycerol : A 1-monoglyceride where the acyl group is oleoyl.. monooleoylglycerol : A monoglyceride in which the acyl group is oleoyl with the position of acylation unspecified. | 2.39 | 2 | 0 | 1-acylglycerol 18:1; monooleoylglycerol | plant metabolite |
| menaquinone 6 menaquinone 6: RN given refers to (all-E)-isomer | 2.03 | 1 | 0 | ||
| sphingosine 1-phosphate sphingosine 1-phosphate: RN given refers to (R-(R*,S*-(E)))-isomer; RN for cpd without isomeric designation not available 8/89. sphingosine 1-phosphate : A phosphosphingolipid that consists of sphingosine having a phospho group attached at position 1 | 2.04 | 1 | 0 | sphingoid 1-phosphate | mouse metabolite; signalling molecule; sphingosine-1-phosphate receptor agonist; T-cell proliferation inhibitor; vasodilator agent |
| codeine [no description available] | 3.77 | 2 | 1 | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic |
| methyl linoleate [no description available] | 2.52 | 2 | 0 | fatty acid methyl ester | plant metabolite |
| phenylephrine hydrochloride Nose: A part of the upper respiratory tract. It contains the organ of SMELL. The term includes the external nose, the nasal cavity, and the PARANASAL SINUSES.. phenylephrine hydrochloride : A hydrochloride that is the monohydrochloride salt of phenylephrine. | 3.49 | 2 | 0 | hydrochloride | |
| beta-nitrostyrene beta-nitrostyrene: RN given refers to cpd without isomeric designation | 3.17 | 5 | 0 | ||
| oleyl alcohol oleyl alcohol: structure; RN given refers to cpd without isomeric designation | 2.02 | 1 | 0 | fatty alcohol 18:1; long-chain primary fatty alcohol | metabolite; nonionic surfactant |
| naloxone Naloxone: A specific opiate antagonist that has no agonist activity. It is a competitive antagonist at mu, delta, and kappa opioid receptors.. naloxone : A synthetic morphinane alkaloid that is morphinone in which the enone double bond has been reduced to a single bond, the hydrogen at position 14 has been replaced by a hydroxy group, and the methyl group attached to the nitrogen has been replaced by an allyl group. A specific opioid antagonist, it is used (commonly as its hydrochloride salt) to reverse the effects of opioids, both following their use of opioids during surgery and in cases of known or suspected opioid overdose. | 2.08 | 1 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
| vitamin k 1 Vitamin K 1: A family of phylloquinones that contains a ring of 2-methyl-1,4-naphthoquinone and an isoprenoid side chain. Members of this group of vitamin K 1 have only one double bond on the proximal isoprene unit. Rich sources of vitamin K 1 include green plants, algae, and photosynthetic bacteria. Vitamin K1 has antihemorrhagic and prothrombogenic activity.. phylloquinone : A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones. | 1.94 | 1 | 0 | phylloquinones; vitamin K | cofactor; human metabolite; plant metabolite |
| gamma-cyclodextrin gamma-cyclodextrin : A cycloamylose composed of eight alpha-(1->4) linked D-glucopyranose units. | 2.17 | 1 | 0 | cyclodextrin | |
| brefeldin a [no description available] | 2.46 | 2 | 0 | macrolide antibiotic | Penicillium metabolite |
| alvocidib alvocidib: structure given in first source. alvocidib : A synthetic dihydroxyflavone that is 5,7-dihydroxyflavone which is substituted by a 3-hydroxy-1-methylpiperidin-4-yl group at position 8 and by a chlorine at the 2' position (the (-)-3S,4R stereoisomer). A cyclin-dependent kinase 9 (CDK9) inhibitor, it has been studied for the treatment of acute myeloid leukaemia, arthritis and atherosclerotic plaque formation. | 2.03 | 1 | 0 | dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound | antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| fenretinide Fenretinide: A synthetic retinoid that is used orally as a chemopreventive against prostate cancer and in women at risk of developing contralateral breast cancer. It is also effective as an antineoplastic agent.. 4-hydroxyphenyl retinamide : A retinoid obtained by formal condensation of the carboxy group of all-trans retinoic acid and the anilino group of 4-hydroxyaniline. Synthetic retinoid agonist. Antiproliferative, antioxidant and anticancer agent with a long half-life in vivo. Apoptotic effects appear to be mediated by a mechanism distinct from that of 'classical' retinoids. | 2.04 | 1 | 0 | monocarboxylic acid amide; retinoid | antineoplastic agent; antioxidant |
| morphine Meconium: The thick green-to-black mucilaginous material found in the intestines of a full-term fetus. It consists of secretions of the INTESTINAL GLANDS; BILE PIGMENTS; FATTY ACIDS; AMNIOTIC FLUID; and intrauterine debris. It constitutes the first stools passed by a newborn. | 2.69 | 3 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound | anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic |
| 3-methoxy-2-(2-styrylphenyl)propenic acid methyl ester 3-methoxy-2-(2-styrylphenyl)propenic acid methyl ester: structure given in first source; fluorescence inhibitor | 1.97 | 1 | 0 | ||
| pactamycin Pactamycin: Antibiotic produced by Streptomyces pactum used as an antineoplastic agent. It is also used as a tool in biochemistry because it inhibits certain steps in protein synthesis. | 2.6 | 1 | 0 | ||
| peridinin peridinin: structure | 2.4 | 2 | 0 | ||
| ah 13205 AH 13205: an EP(2) receptor agonist and leukotriene B4 antagonist | 2.02 | 1 | 0 | ||
| cp 99994 3-(2-methoxybenzylamino)-2-phenylpiperidine: selective NK(1) receptor antagonist; CP-100263 is the inactive enantiomer | 2.05 | 1 | 0 | ||
| iloprost Iloprost: An eicosanoid, derived from the cyclooxygenase pathway of arachidonic acid metabolism. It is a stable and synthetic analog of EPOPROSTENOL, but with a longer half-life than the parent compound. Its actions are similar to prostacyclin. Iloprost produces vasodilation and inhibits platelet aggregation.. iloprost : A carbobicyclic compound that is prostaglandin I2 in which the endocyclic oxygen is replaced by a methylene group and in which the (1E,3S)-3-hydroxyoct-1-en-1-yl side chain is replaced by a (3R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl group. A synthetic analogue of prostacyclin, it is used as the trometamol salt (generally by intravenous infusion) for the treatment of peripheral vascular disease and pulmonary hypertension. | 2.02 | 1 | 0 | carbobicyclic compound; monocarboxylic acid; secondary alcohol | platelet aggregation inhibitor; vasodilator agent |
| preclamol preclamol: centrally acting dopamine receptor agonist with selectivity for autoreceptors | 2.11 | 1 | 0 | ||
| lysophosphatidylcholines lysophosphatidylcholine : An acylglycerophosphocholine resulting from partial hydrolysis of a phosphatidylcholine, which removes one of the fatty acyl groups. The structure is depicted in the image where R1 = acyl, R2 = H or where R1 = H, R2 = acyl. | 2.34 | 2 | 0 | 1-O-acyl-sn-glycero-3-phosphocholine | |
| cytochalasin b Cytochalasin B: A cytotoxic member of the CYTOCHALASINS.. cytochalasin B : An organic heterotricyclic compound, that is a mycotoxin which is cell permeable an an inhibitor of cytoplasmic division by blocking the formation of contractile microfilaments. | 2.13 | 1 | 0 | cytochalasin; lactam; lactone; organic heterotricyclic compound | actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor |
| ciguatoxins Ciguatoxins: Polycyclic ethers produced by Gambierdiscus (DINOFLAGELLATES) from gambiertoxins, which are ingested by fish which in turn may be ingested by humans who are susceptible to the CIGUATERA POISONING.. ciguatoxin CTX1B : A ciguatoxin comprising a sequence of twelve trans-fused six-, seven-, eight- and nine-membered rings and a spiro-fused five-membered ring. A commonly encountered fish toxin.. ciguatoxin : Ciguatoxins are cyclic polyether toxins, derived from marine dinoflagellates, which are responsible for the symptoms of ciguatera poisoning. Ingestion of tropical and subtropical fin fish contaminated by ciguatoxins results in an illness characterised by neurological, cardiovascular and gastrointestinal disorders. | 2.94 | 4 | 0 | ciguatoxin | metabolite |
| calyculin a calyculin A: RN given refers to (5S-(5alpha(2R*(1S*,3S*,4S*,5R*,6R*,7E,9E,11E,13Z),3R*),7beta(E(S*)),*beta,9alpha))-isomer | 4.36 | 6 | 0 | ||
| caulerpenyne caulerpenyne: from the marine algae Caulerpa taxifolia; structure in first source | 2 | 1 | 0 | ||
| octadecadienoic acid octadecadienoic acid: location of unsaturation not specified. octadecadienoate : A long-chain, unsaturated fatty acid anion formed by deprotonation of the carboxy group of any octadecadienoic acid; major species at pH 7.3.. octadecadienoic acid : Any straight-chain, C18 polyunsaturated fatty acid having two C=C double bonds. | 2.02 | 1 | 0 | ||
| 5,9,12-octadecatrienoic acid 5,9,12-octadecatrienoic acid: RN given refers to cpd without isomeric designation; structure in first source | 2.17 | 1 | 0 | octadecatrienoic acid | |
| 10-hydroxy-8-octadecenoic acid [no description available] | 2.02 | 1 | 0 | long-chain fatty acid | |
| 1,2-oleoylphosphatidylcholine 1,2-oleoylphosphatidylcholine: RN given refers to (Z,Z)-isomer. dioleoyl phosphatidylcholine : A phosphatidylcholine in which the phosphatidyl acyl groups are both oleoyl. | 2.7 | 3 | 0 | phosphatidylcholine(1+) | |
| cinnamyl alcohol cinnamyl alcohol: RN given refers to parent cpd without isomeric designation. (E)-cinnamyl alcohol : The E (trans) stereoisomer of cinnamyl alcohol.. cinnamyl alcohol : A primary alcohol comprising an allyl core with a hydroxy substituent at the 1-position and a phenyl substituent at the 3-position (geometry of the C=C bond unspecified). | 2.5 | 2 | 0 | cinnamyl alcohol | plant metabolite |
| beta-farnesene beta-farnesene: structure given in first source | 3.01 | 4 | 0 | beta-farnesene | |
| calycosin-7-o-beta-d-glucopyranoside calycosin-7-O-beta-D-glucoside: from Radix Astragali. calycosin-7-O-beta-D-glucoside : A glycosyloxyisoflavone that is calycosin substituted by a beta-D-glucopyranosyl residue at position at 7 via a glycosidic linkage. | 2.15 | 1 | 0 | 4'-methoxyisoflavones; 7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative | |
| pellitorine pellitorine: consists of piper sylvaticum Roxb.; structure | 2.48 | 2 | 0 | fatty amide | metabolite |
| nerolidol nerolidol: sesquiterpene; RN given refers to cpd without isomeric designation; nerol is also available. nerolidol : A farnesane sesquiterpenoid that is dodeca-1,6,10-triene which carries methyl groups at positions 3, 7 and 11 and a hydroxy group at position 3. It is a natural product that is present in various flowers and plants with a floral odor. Chemically, it exists in two geometric isomers, trans and cis forms. It is widely used in cosmetics (e.g. shampoos and perfumes), in non-cosmetic products (e.g. detergents and cleansers) and also as a food flavoring agent.. (6Z)-nerolidol : A nerolidol in which the double bond at position 6 adopts a cis-configuration. | 3.51 | 7 | 0 | nerolidol | |
| alpha-ocimene [no description available] | 3.17 | 5 | 0 | ||
| beta-ocimene beta-ocimene : The trans-stereoisomer of ocimene.. (Z)-beta-ocimene : A beta-ocimene that consists of octa-1,3,6-triene bearing two methyl substituents at positions 3 and 7 (the 3Z-isomer). | 6.92 | 83 | 0 | beta-ocimene | plant metabolite |
| taxuyunnanine c [no description available] | 2.11 | 1 | 0 | taxane diterpenoid | |
| caryophyllene caryophyllene: RN given refers to cpd without isomeric designation; structure given in first source | 4.88 | 31 | 0 | ||
| malealdehyde malealdehyde: RN given refers to cpd without isomeric designation; fumaraldehyde refers to (E)-isomer | 2.05 | 1 | 0 | but-2-enedial | |
| thebaine Thebaine: A drug that is derived from opium, which contains from 0.3-1.5% thebaine depending on its origin. It produces strychnine-like convulsions rather than narcosis. It may be habit-forming and is a controlled substance (opiate) listed in the U.S. Code of Federal Regulations, Title 21 Part 1308.12 (1985). (From Merck Index, 11th ed) | 2.86 | 4 | 0 | morphinane alkaloid; organic heteropentacyclic compound | |
| casein kinase ii Casein Kinase II: A ubiquitous casein kinase that is comprised of two distinct catalytic subunits and dimeric regulatory subunit. Casein kinase II has been shown to phosphorylate a large number of substrates, many of which are proteins involved in the regulation of gene expression. | 2.21 | 1 | 0 | ||
| fosbretabulin fosbretabulin: a microtubule destabilizing agent isolated from Combretum caffrum; structure in first source | 3.16 | 5 | 0 | ||
| lead Lead: A soft, grayish metal with poisonous salts; atomic number 82, atomic weight 207.2, symbol Pb. | 3.11 | 5 | 0 | carbon group element atom; elemental lead; metal atom | neurotoxin |
| tin [no description available] | 9.38 | 20 | 0 | carbon group element atom; elemental tin; metal atom | micronutrient |
| 3-hexenylacetate 3-hexenylacetate: RN refers to (Z)-isomer | 3.56 | 8 | 0 | carboxylic ester | |
| diamide Diamide: A sulfhydryl reagent which oxidizes sulfhydryl groups to the disulfide form. It is a radiation-sensitizing agent of anoxic bacterial and mammalian cells. | 2.74 | 3 | 0 | 1,1'-azobis(N,N-dimethylformamide) | |
| rg 13022 RG 13022: structure given in first source | 1.98 | 1 | 0 | ||
| rg 14620 RG 14620: structure given in first source | 1.98 | 1 | 0 | ||
| 2,4,3',5'-tetramethoxystilbene 2,4,3',5'-tetramethoxystilbene: potent inhibitor of human cytochrome P450 1B1; an antihypertensive agent; structure in first source | 2.15 | 1 | 0 | ||
| cinnamoyl chloride cinnamoyl chloride: RN given refers to cpd without isomeric designation | 2.07 | 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. | 2.98 | 4 | 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. | 3.14 | 5 | 0 | alkali metal atom | |
| barium Barium: An element of the alkaline earth group of metals. It has an atomic symbol Ba, atomic number 56, and atomic weight 138. All of its acid-soluble salts are poisonous. | 2.68 | 3 | 0 | alkaline earth metal atom; elemental barium | |
| oleylamine oleylamine: promotes fusion of mouse A(9) fibroblasts; RN given refers to parent cpd with unspecified isomeric designation; structure | 2.03 | 1 | 0 | ||
| rubidium Rubidium: An element that is an alkali metal. It has an atomic symbol Rb, atomic number 37, and atomic weight 85.47. It is used as a chemical reagent and in the manufacture of photoelectric cells. | 2.35 | 2 | 0 | alkali metal atom | |
| aluminum Aluminum: A metallic element that has the atomic number 13, atomic symbol Al, and atomic weight 26.98. | 6.4 | 40 | 0 | boron group element atom; elemental aluminium; metal atom | |
| strontium Strontium: An element of the alkaline earth family of metals. It has the atomic symbol Sr, atomic number 38, and atomic weight 87.62. | 2.05 | 1 | 0 | alkaline earth metal atom | |
| bismuth Bismuth: A metallic element that has the atomic symbol Bi, and atomic number 83. Its principal isotope is Bismuth 209. | 8.57 | 8 | 0 | metal atom; pnictogen | |
| thallium Thallium: A heavy, bluish white metal, atomic number 81, atomic weight [204.382; 204.385], symbol Tl.. thallium : A metallic element first identified and named from the brilliant green line in its flame spectrum (from Greek thetaalphalambdalambdaomicronsigma, a green shoot). | 1.95 | 1 | 0 | boron group element atom | |
| 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) | 4.2 | 5 | 0 | metalloid atom; pnictogen | micronutrient |
| 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. | 6.29 | 19 | 0 | boron group element atom | |
| gallium Gallium: A rare, metallic element designated by the symbol, Ga, atomic number 31, and atomic weight 69.72.. gallium atom : A metallic element predicted as eka-aluminium by Mendeleev in 1870 and discovered by Paul-Emile Lecoq de Boisbaudran in 1875. Named in honour of France (Latin Gallia) and perhaps also from the Latin gallus cock, a translation of Lecoq. | 5.07 | 12 | 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. | 8.67 | 89 | 0 | chalcogen; nonmetal atom | macronutrient |
| 5-methyl-2-hepten-4-one 5-methyl-2-hepten-4-one: shows an intense, hazelnut-like aroma; structure in first source | 2.76 | 3 | 0 | ||
| ethyl oleate [no description available] | 2.03 | 1 | 0 | long-chain fatty acid ethyl ester | acaricide; plant metabolite |
| 11-cis-vaccenyl acetate 11-cis-vaccenyl acetate: a volatile pheromone; a male-specific lipid that is transferred in the ejaculate to females during copulation | 2.8 | 3 | 0 | acetate ester | |
| methyl oleate [no description available] | 9.1 | 4 | 0 | fatty acid methyl ester | |
| 8-heptadecene [no description available] | 3.79 | 10 | 0 | ||
| muscalure muscalure: sex sttractant pheromone of housefly with formula C24H48, alkene hydrocarbon; RN given refers to cpd with unspecified stereochemistry; structure | 4.25 | 18 | 0 | tricosene | |
| 2,3-oxidosqualene 2,3-oxidosqualene: an oxidized derivative of SQUALENE that can fold in several ways: chair-boat-chair-boat to LANOSTEROL; chair-chair-chair-boat to dammarane; or all chair to hopane and on to cycloartenol; RN given refers to (all-Z)-isomer. 2,3-epoxysqualene : A squalene triterpenoid obtained by formal epoxidation across the 2,3 C=C bond of squalene. | 2.74 | 3 | 0 | epoxide; squalene triterpenoid | |
| 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. | 5.46 | 11 | 0 | apo carotenoid monoterpenoid; cyclic monoterpene ketone; enone | fragrance; plant metabolite; volatile oil component |
| methoprene Methoprene: Juvenile hormone analog and insect growth regulator used to control insects by disrupting metamorphosis. Has been effective in controlling mosquito larvae. | 1.95 | 1 | 0 | isopropyl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate; isopropyl ester | juvenile hormone mimic |
| alloocimene alloocimene: representative of carotenoid polyenes; RN given refers to cpd without isomeric designation. (4E,6E)-2,6-dimethylocta-2,4,6-triene : An ocimene that consists of octa-2,4,6-triene bearing methyl substituents at positions 2 and 6 (the 4E,6E-isomer). | 2.03 | 1 | 0 | ocimene | semiochemical |
| dicrotophos dicrotophos: RN given refers to cpd without isomeric designation; structure | 1.94 | 1 | 0 | dialkyl phosphate; organophosphate insecticide | acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| monocrotophos Monocrotophos: An organophosphate insecticide that inhibits monoamine oxidase and acetylcholinesterase. It has been shown to be genotoxic.. monocrotophos : An alkenyl phosphate that is the 4-(methylamino)-4-oxobut-2-en-2-yl ester of dimethyl phosphate. | 1.94 | 1 | 0 | alkenyl phosphate; dialkyl phosphate; monocarboxylic acid amide; organophosphate insecticide | acaricide; agrochemical; avicide; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
| isoalloxazine isoalloxazine: structure | 2.41 | 1 | 0 | benzo[g]pteridine-2,4-dione | |
| germacrene d germacrene D: RN in 9th CI Form Index for unspecified stereoisomer: 37839-63-7 | 3.69 | 9 | 0 | ||
| sorbicillin sorbicillin: RN given for (E,E)-isomer; structure in first source | 2.21 | 1 | 0 | phenols | |
| nitrofurazone Nitrofurazone: A topical anti-infective agent effective against gram-negative and gram-positive bacteria. It is used for superficial WOUNDS AND INJURIES and skin infections. Nitrofurazone has also been administered orally in the treatment of TRYPANOSOMIASIS.. nitrofurazone : A semicarbazone resulting from the formal condensation of semicarbazide with 5-nitrofuraldehyde. A broad spectrum antibacterial drug, although with little activity against Pseudomonas species, it is used as a local application for burns, ulcers, wounds and skin infections. | 1.95 | 1 | 0 | ||
| eupalmerin acetate eupalmerin acetate: cyclic diterpenoid from gorgonians of the Eunicea genus; RN given refers to (1aR-(1aR*,4E,9S*,10R*,13aS*,14R*))-isomer; RN for cpd without isomeric designation not avail 9/93; structure given in first source | 2.08 | 1 | 0 | ||
| dimyristoylphosphatidylcholine 1,2-di-O-myristoyl-sn-glycero-3-phosphocholine : A 1,2-diacyl-sn-glycero-3-phosphocholine where the two phosphatidyl acyl groups are specified as tetradecanoyl (myristoyl).. dimyristoyl phosphatidylcholine : A phosphatidylcholine where the phosphatidyl acyl groups are specified as tetradecanoyl (myristoyl). | 3.08 | 4 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine; phosphatidylcholine 28:0; tetradecanoate ester | antigen; mouse metabolite |
| 2,3-oxidosqualene oxidosqualene: structure in first source. (S)-2,3-epoxysqualene : A 2,3-epoxysqualene in which the chiral centre has S configuration. It is converted into lanosterol by lanosterol synthase (EC 5.4.99.7) in a key rate-limiting step in the biosynthesis of chloesterol, steroid hormones, and vitamin D. | 2.08 | 1 | 0 | 2,3-epoxysqualene | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| ecdysterone Ecdysterone: A steroid hormone that regulates the processes of MOLTING or ecdysis in insects. Ecdysterone is the 20-hydroxylated ECDYSONE.. 20-hydroxyecdysone : An ecdysteroid that is ecdysone substituted by a hydroxy group at position 20. | 2.11 | 1 | 0 | 14alpha-hydroxy steroid; 20-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; ecdysteroid; phytoecdysteroid | animal metabolite; plant metabolite |
| fumarates Fumarates: Compounds based on fumaric acid.. fumarate(2-) : A C4-dicarboxylate that is the E-isomer of but-2-enedioate(2-) | 3.54 | 8 | 0 | butenedioate; C4-dicarboxylate | human metabolite; metabolite; Saccharomyces cerevisiae metabolite |
| beryllium Beryllium: An element with the atomic symbol Be, atomic number 4, and atomic weight 9.01218. Short exposure to this element can lead to a type of poisoning known as BERYLLIOSIS.. beryllium atom : Alkaline earth metal atom with atomic number 4. | 2.01 | 1 | 0 | alkaline earth metal atom; elemental beryllium; metal allergen | adjuvant; carcinogenic agent; epitope |
| acetyl acetonate [no description available] | 2.47 | 2 | 0 | ||
| cysteine Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3. | 5.94 | 40 | 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]. | 7.04 | 59 | 0 | carbon group element atom; metalloid atom; nonmetal atom | |
| phosphorus Phosphorus: A non-metal element that has the atomic symbol P, atomic number 15, and atomic weight 31. It is an essential element that takes part in a broad variety of biochemical reactions. | 6.7 | 23 | 0 | monoatomic phosphorus; nonmetal atom; pnictogen | macronutrient |
| 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. | 6.36 | 47 | 0 | boron group element atom; metalloid atom; nonmetal atom | micronutrient |
| lycodine lycodine: structure in first source | 2.08 | 1 | 0 | phenanthrol | |
| hexanitrostilbene hexanitrostilbene: structure in first source | 2.6 | 1 | 0 | ||
| argentilactone argentilactone: from root of Annona haematantha; structure given in first source | 2.01 | 1 | 0 | ||
| 2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid 2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid: chromogen in glucose oxidase-peroxidase method for determining serum glucose; used in free radical scavenging assays; structure in first source | 2.47 | 2 | 0 | ||
| lavandulol lavandulol: defensive pheromone of the red-lined carrion beetle and additive in perfumes; structure in first source. lavandulol : A monoterpenoid alcohol that is hepta-1-5-diene which is substituted at positions 2 and 6 by methyl groups and at position 3 by a hydroxymethyl group. It is commonly found in lavender oil. | 2.15 | 1 | 0 | lavandulol | |
| 2,3-dehydrosilybin dehydrosilybin: inhibits cytochrome P450 1A1 catalytic activity; structure in first source | 2.05 | 1 | 0 | flavonolignan | |
| bakuchiol bakuchiol: chief component of Psoralea corylifolia Linn; structure | 2.15 | 1 | 0 | ||
| zerumbone zerumbone: RN given for (E,E,E)-isomer; structure in first source. zerumbone : A sesquiterpenoid and cyclic ketone that is (1E,4E,8E)-alpha-humulene which is substituted by an oxo group at the carbon atom attached to two double bonds. It is obtained by steam distillation from a type of edible ginger, Zingiber zerumbet Smith, grown particularly in southeast Asia. | 2.47 | 2 | 0 | cyclic ketone; sesquiterpenoid | anti-inflammatory agent; glioma-associated oncogene inhibitor; plant metabolite |
| callystatin a callystatin A: structure in first source | 3.28 | 6 | 0 | diterpenoid | |
| kendomycin kendomycin: structure in first source | 2.43 | 2 | 0 | benzofurans | |
| tedanolide tedanolide: cytotoxic compound from sponge, Tedania ignis; structure in first source | 2.44 | 2 | 0 | ||
| progoitrin progoitrin: RN given refers to (R)-isomer; structure. epi-progoitrin : The stereoisomer of xi-progoitrin that has S at the carbon bearing the allylic hydroxy group.. progoitrin : The stereoisomer of xi-progoitrin that has R at the carbon bearing the allylic hydroxy group. | 2.44 | 2 | 0 | alkylglucosinolate | |
| pregabalin Pregabalin: A gamma-aminobutyric acid (GABA) derivative that functions as a CALCIUM CHANNEL BLOCKER and is used as an ANTICONVULSANT as well as an ANTI-ANXIETY AGENT. It is also used as an ANALGESIC in the treatment of NEUROPATHIC PAIN and FIBROMYALGIA.. pregabalin : A gamma-amino acid that is gamma-aminobutyric acid (GABA) carrying an isobutyl substitutent at the beta-position (the S-enantiomer). Binds with high affinity to the alpha2-delta site (an auxiliary subunit of voltage-gated calcium channels) in central nervous system tissues. | 2.99 | 4 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker |
| ophiocordin ophiocordin: metabolite of Cordyceps ophioglossoides | 2 | 1 | 0 | ||
| aliskiren aliskiren: orally active nonpeptidic renin inhibitor. aliskiren : A monomethoxybenzene compound having a 3-methoxypropoxy group at the 2-position and a multi-substituted branched alkyl substituent at the 4-position. | 2.11 | 1 | 0 | monocarboxylic acid amide; monomethoxybenzene | antihypertensive agent |
| triolein Triolein: (Z)-9-Octadecenoic acid 1,2,3-propanetriyl ester.. triolein : A triglyceride formed by esterification of the three hydroxy groups of glycerol with oleic acid. Triolein is one of the two components of Lorenzo's oil. | 1.94 | 1 | 0 | triglyceride | Caenorhabditis elegans metabolite; plant metabolite |
| epicinchonine epicinchonine: structure in first source. cinchonine : Cinchonan in which a hydrogen at position 9 is substituted by hydroxy (S configuration). It occurs in the bark of most varieties of Cinchona shrubs, and is frequently used for directing chirality in asymmetric synthesis. | 2.07 | 1 | 0 | cinchona alkaloid | |
| bafilomycin a [no description available] | 3.53 | 2 | 0 | ||
| abscisic acid Abscisic Acid: Abscission-accelerating plant growth substance isolated from young cotton fruit, leaves of sycamore, birch, and other plants, and from potatoes, lemons, avocados, and other fruits.. (S)-2-trans-abscisic acid : A 2-trans-abscisic acid with (S)-configuration at the chiral centre.. (+)-abscisic acid : The naturally occurring (1'S)-(+) enantiomer of abscisic acid. It is an important sesquiterpenoid plant hormone which acts as a regulator of plant responses to environmental stresses such as drought and cold. | 2.58 | 2 | 0 | 2-trans-abscisic acid | |
| carbocyanines Carbocyanines: Compounds that contain three methine groups. They are frequently used as cationic dyes used for differential staining of biological materials. | 4.39 | 6 | 0 | cyanine dye; organic iodide salt | fluorochrome |
| cefotaxime Cefotaxime: Semisynthetic broad-spectrum cephalosporin.. cefotaxime : A cephalosporin compound having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups. | 1.97 | 1 | 0 | 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen |
| germacrene a germacrene A: RN given for (S-(E,E))-isomer; structure in first source | 2.13 | 1 | 0 | germacrene; sesquiterpene | |
| cinidon-ethyl Lotus: A genus of the PEA FAMILY. The genus Lotus, formerly known as Tetragonolobus, is unrelated to other plants with the common name of lotus (NELUMBO and NYMPHAEA).. cinidon ethyl : A carboxylic ester and organochlorine compound that is the ethyl ester of cinidon. | 2.02 | 1 | 0 | ethyl ester; isoindoles; monochlorobenzenes | herbicide |
| 1,2-dielaidoylphosphatidylethanolamine 1,2-dielaidoylphosphatidylethanolamine: RN given refers to (E,E)-isomer; member of a class of cationic lipid formulations called cytofectins | 1.99 | 1 | 0 | ||
| ammonium sulfate Ammonium Sulfate: Sulfuric acid diammonium salt. It is used in CHEMICAL FRACTIONATION of proteins.. ammonium sulfate : An inorganic sulfate salt obtained by reaction of sulfuric acid with two equivalents of ammonia. A high-melting (decomposes above 280degreeC) white solid which is very soluble in water (70.6 g/100 g water at 0degreeC; 103.8 g/100 g water at 100degreeC), it is widely used as a fertilizer for alkaline soils. | 1.95 | 1 | 0 | ammonium salt; inorganic sulfate salt | fertilizer |
| bisabolol bisabolol: monocyclic sesquiterpene alcohol with strong bacteriocidal effects, especilly against M. Tuberc.; isolated from seed plant Populus tacamacaha; RN given refers to cpd without isomeric desigation | 2.1 | 1 | 0 | ||
| 2-amino-4-methoxy-3-butenoic acid 2-amino-4-methoxy-3-butenoic acid: bacterial toxin isolated from Pseudomonas aeruginosa; RN given refers to (S-(E))-isomer | 1.95 | 1 | 0 | ||
| germanium Germanium: A rare metal element with a blue-gray appearance and atomic symbol Ge, atomic number 32, and atomic weight 72.63. | 8.7 | 1 | 0 | carbon group element atom; metalloid atom; nonmetal atom | |
| 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. | 5.34 | 17 | 0 | chalcogen; nonmetal atom | micronutrient |
| phosphorus pentoxide phosphorus pentoxide: drying agent for bacterial cultural extracts analyzed by gas-liquid chromatography; structure. diphosphonate(2-) : A divalent inorganic anion obtained by removal of both protons from diphosphonic acid. | 2.01 | 1 | 0 | ||
| selenocysteine Selenocysteine: A naturally occurring amino acid in both eukaryotic and prokaryotic organisms. It is found in tRNAs and in the catalytic site of some enzymes. The genes for glutathione peroxidase and formate dehydrogenase contain the TGA codon, which codes for this amino acid.. selenocysteine : An alpha-amino acid that consists of alanine where one of the methyl hydrogens is substituted with a seleno group. | 2.81 | 3 | 0 | ||
| phenylphosphinic acid phenylphosphinic acid: a white crystalline solid material | 2.02 | 1 | 0 | ||
| tellurium Tellurium: An element that is a member of the chalcogen family. It has the atomic symbol Te, atomic number 52, and atomic weight 127.60. It has been used as a coloring agent and in the manufacture of electrical equipment. Exposure may cause nausea, vomiting, and CNS depression. | 2.44 | 2 | 0 | chalcogen; metalloid atom | |
| allylsilane allylsilane: structure in first source | 6.5 | 33 | 0 | ||
| 9-borabicyclo(3,3,1)nonane [no description available] | 2.47 | 2 | 0 | ||
| diphenyl phosphite diphenyl phosphite: a coupling agent for making sterically hindered peptide analogs; structure in first source | 2.45 | 2 | 0 | ||
| benzeneselenol benzeneselenol: RN given refers to parent cpd | 2.03 | 1 | 0 | ||
| triethoxysilane [no description available] | 2.06 | 1 | 0 | ||
| oxalates Oxalates: Derivatives of OXALIC ACID. Included under this heading are a broad variety of acid forms, salts, esters, and amides that are derived from the ethanedioic acid structure. | 4.32 | 5 | 0 | ||
| 1,1-diethyl-2-hydroxy-2-nitrosohydrazine 1,1-diethyl-2-hydroxy-2-nitrosohydrazine: RN given in first source; RN refers to ion(1-); do not confuse with DEA-NO cpd | 2.05 | 1 | 0 | organic anion | |
| clinoptilolite clinoptilolite: clinoptilolite was SY to zeolite (NM); use zeolites (NM) to search through 1993; RN is for cpd with unknown MF | 2.31 | 1 | 0 | ||
| 4-oxo-(e)-2-hexenal 4-oxo-(E)-2-hexenal: structure in first source. (E)-4-oxohex-2-enal : The enal that is (E)-hex-2-enal substituted with an oxo group at C-4. | 2.78 | 3 | 0 | enal; enone | |
| 7-tricosene 7-tricosene: regulates attractiveness of mated Drosophila melanogaster females | 5.72 | 26 | 0 | ||
| n-desmethyltamoxifen N-desmethyltamoxifen: main metabolite of tamoxifen; RN given refers to (Z)-isomer | 2.17 | 1 | 0 | stilbenoid | |
| dykellic acid dykellic acid: an apoptosis inhibitor isolated from Westerdykella multispora; structure in first source | 2.05 | 1 | 0 | ||
| psammaplin a psammaplin A: isolated from marine sponges Poecillastra and Jaspis; structure in second source | 2.21 | 1 | 0 | ||
| dizocilpine maleate Dizocilpine Maleate: A potent noncompetitive antagonist of the NMDA receptor (RECEPTORS, N-METHYL-D-ASPARTATE) used mainly as a research tool. The drug has been considered for the wide variety of neurodegenerative conditions or disorders in which NMDA receptors may play an important role. Its use has been primarily limited to animal and tissue experiments because of its psychotropic effects.. dizocilpine maleate : A maleate salt obtained by reaction of dizocilpine with one equivalent of maleic acid. | 2.01 | 1 | 0 | maleate salt; tetracyclic antidepressant | anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist |
| antimycin a Antimycin A: An antibiotic substance produced by Streptomyces species. It inhibits mitochondrial respiration and may deplete cellular levels of ATP. Antimycin A1 has been used as a fungicide, insecticide, and miticide. (From Merck Index, 12th ed). antimycin A : A nine-membered bis-lactone having methyl substituents at the 2- and 6-positions, an n-hexyl substituent at the 8-position, an acyloxy substituent at the 7-position and an aroylamido substituent at the 3-position. It is produced by Streptomyces bacteria and has found commercial use as a fish poison. | 3.57 | 9 | 0 | amidobenzoic acid | |
| prolylglycine prolylglycine: RN given refers to (L)-isomer. L-prolylglycine : A dipeptide consisting of glycine having an L-prolyl group attached to its alpha-amino nitrogen. | 2.01 | 1 | 0 | dipeptide zwitterion; dipeptide | |
| pregnanediol [no description available] | 1.95 | 1 | 0 | ||
| cadinol cadinol: from callus cultures of Chamomilla recutita (Asteraceae) | 3.37 | 6 | 0 | ||
| 2,6-nonadienal, (e,z)-isomer 2,4-nonadienal: RN given for (trans,trans)-isomer; structure in first source | 2.1 | 1 | 0 | polyunsaturated fatty aldehyde | |
| 7-pentacosene 7-pentacosene: predominant hydrocarbons on the cuticle of both sexes in Drosophila simulans | 4.91 | 11 | 0 | ||
| 9-pentacosene 9-pentacosene: structure in first source | 3.18 | 5 | 0 | ||
| cedrene cedrene: major constituent of cedarwood oil. cedr-8-ene : A sesquiterpene that is cedrane which has a double bond between positions 8 and 9. | 2.48 | 2 | 0 | bridged compound; carbotricyclic compound; polycyclic olefin; sesquiterpene | human urinary metabolite; volatile oil component |
| dichlorocarbene [no description available] | 1.96 | 1 | 0 | carbene | |
| longiborneol longiborneol: RN given for (1alpha,3abeta,4alpha,8abeta,9S*))-isomer; structure in first source | 2.11 | 1 | 0 | organic molecular entity | |
| cholestanol Cholestanol: A cholesterol derivative found in human feces, gallstones, eggs, and other biological matter. | 2.66 | 3 | 0 | cholestanoid | |
| ascofuranone ascofuranone: structure. ascofuranone : A dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde which is substituted by a (2E,6E)-7-[(2S)-5,5-dimethyl-4-oxotetrahydrofuran-2-yl]-3-methylocta-2,6-dien-1-yl group at position 3, chlorine at position 5, and a methyl group at position 6. A meroterpenoid produced by the soil fungus, Acremonium sclerotigenum. It is a promising drug candidate against the tropical disease, African trypanosomiasis. | 4.58 | 7 | 0 | dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid; tetrahydrofuranone | angiogenesis inhibitor; antilipemic drug; antineoplastic agent; antiprotozoal drug; fungal metabolite |
| pumiliotoxin a pumiliotoxin A: see also records for pumiliotoxin B, pumiliotoxin C & pumiliotoxins | 2 | 1 | 0 | alkaloid | |
| 4-hydroperoxy-2-nonenal 4-hydroperoxy-2-nonenal: RN in first source for 4-hydroxyperoxy-trans-2-nonenal | 3.45 | 1 | 1 | fatty aldehyde | |
| 1-palmitoyl-2-oleoylphosphatidylcholine 1-palmitoyl-2-oleoylphosphatidylcholine: RN given refers to (Z)-isomer | 2.59 | 2 | 0 | ||
| ambruticin ambruticin: cyclopropyl-polyene-pyran acid from Polyangium cellulosum var. fulvum; RN given refers to parent cpd; structure | 4.05 | 4 | 0 | ||
| bornelone [no description available] | 7.08 | 1 | 0 | ||
| linolenyl alcohol linolenyl alcohol: RN given refers to (Z,Z,Z)-isomer. (9Z,12Z,15Z)-octadecatrien-1-ol : A long chain fatty primary alcohol that is octadecanol containing three double bonds located at positions 9, 12 and 15. | 2.06 | 1 | 0 | long-chain primary fatty alcohol | antibacterial agent |
| falcarindiol falcarindiol: from leaves of Schefflera digitata (Araliaceae) and in carrots; inhibits germination of spores of most common dermatophyte fungi | 2.46 | 2 | 0 | organic molecular entity | metabolite |
| himbacine himbacine: muscarine receptor antagonist; RN given refers to (3S-(3alpha,3aalpha,4beta(1E,2(2R*,6S*)),4abeta,8aalpha,9aalpha))-isomer; structure given in first source. himbacine : A piperidine alkaloid that is decahydronaphtho[2,3-c]furan-1(3H)-one substituted by a methyl group at position 3 and a 2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl group at position 4. It has been isolated from the bark of Australian magnolias. | 2.44 | 2 | 0 | gamma-lactone; organic heterotricyclic compound; piperidine alkaloid | muscarinic antagonist |
| carboprostacyclin carboprostacyclin: potent stable prostacyclin analog which inhibits platelet aggretation; do not confuse with carboprost (15-methyl-PGF2alpha); RN given refers to (3aS-(2Z,3aalpha,4alpha(1E,R*),5beta,6aalpha))-isomer; structure given in first source | 2.03 | 1 | 0 | prostanoid | |
| 15-hydroperoxy-5,8,11,13-eicosatetraenoic acid 15-hydroperoxy-5,8,11,13-eicosatetraenoic acid: RN given refers to cpd without isomeric designation; (S-(E,Z,Z,Z))-isomer caused dose-dependent constriction of cat coronary arteries; structure in first source. 15-HPETE : A HPETE that consists of (5Z,8Z,11Z,13E)-icosatetraenoic acid in which the hydroperoxy group is located at position 15. | 2.37 | 2 | 0 | HPETE | human xenobiotic metabolite |
| myxothiazol myxothiazol: strobilurin analogue; methoxyacrylamide derivative; antifungal antibiotic from Myxococcus fulvus; structure given in first source. myxothiazol : A 2,4'-bi-1,3-thiazole substituted at the 4-position with a (1E,3S,4R,5E)-7-amino-3,5-dimethoxy-4-methyl-7-oxohepta-1,5-dien-1-yl] group and at the 2'-position with a (2S,3E,5E)-7-methylocta-3,5-dien-2-yl group. It is an inhibitor of coenzyme Q - cytochrome c reductase. | 3.22 | 6 | 0 | ||
| rhizoxin rhizoxin: from Rhizopus chinensis; causal agent of rice seedling blight; structure given in first source. rhizoxin : An macrolide antibiotic isolated from the pathogenic plant fungus Rhizopus microsporus. It also exhibits antitumour and antimitotic activity. | 2.47 | 2 | 0 | 1,3-oxazoles; epoxide; macrolide antibiotic | antimitotic; antineoplastic agent; metabolite |
| manoalide manoalide: phospholipase A2 inhibitor; sesterterpene from marine sponge L. variabilis; structure given in first source. manoalide : A sesterterpenoid isolated from the marine sponge Luffariella variabilis and which has been shown to exhibit inhibitory activity towards phospholipase A2. | 2.01 | 1 | 0 | butenolide; lactol; sesterterpenoid | EC 3.1.1.4 (phospholipase A2) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite |
| mucidin mucidin: produced by basidiomycete Oudemansiella mucida; strobilurin A produced by wood rot fungus Strobilurus tenacellus;. mucidin : An enoate ester that is the methyl ester of (2E,3Z,5E)-2-(methoxymethylene)-3-methyl-6-phenylhexa-3,5-dienoic acid. | 4.1 | 16 | 0 | enoate ester; enol ether | antifungal agent; fungal metabolite |
| cyanoginosin-la cyanoginosin-LA: from cyanobacterium Microcystis aeruginosa | 3.11 | 1 | 0 | peptide | |
| pectenotoxin 2 pectenotoxin 2: isolated from the marine sponges Poecillastra and Jaspis; structure in first source | 2.07 | 1 | 0 | polycyclic ether; spiroketal | marine metabolite |
| dioleoyl phosphatidylethanolamine dioleoyl phosphatidylethanolamine: chemical name in article is incorrect - phosphatidylethandamine instead of phosphatidylethanolamine. dioleoyl phosphatidylethanolamine : A phosphatidylethanolamine in which the phosphatidyl acyl groups are both oleoyl. | 1.99 | 1 | 0 | phosphatidylethanolamine | |
| s-1,2-dichlorovinyl-n-acetylcysteine S-1,2-dichlorovinyl-N-acetylcysteine: urinary metabolite of trichloroethylene in mice | 1.97 | 1 | 0 | ||
| concanamycin a concanamycin A: from Streptomyces diastatochromogenes S-45; inhibits vacuolar H+ ATPase. concanamycin A : A concanamycin in which the lactone ring contains 4 double bonds and is substituted by 4 methyl groups, 2 hydroxy groups, 2 methoxy groups and an ethyl group. | 3.14 | 1 | 0 | carbamate ester; concanamycin | antifungal agent; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; metabolite |
| manumycin manumycin: an NSAID; RN given for (1S-(1alpha,3(2E,4E,6S*),5alpha,5(1E,3E,5E),6alpha))-isomer; a farnesyl protein transferase inhibitor; from Streptomyces parvulus; MF C31-H38-N2-O7; structure given in first source. manumycin A : A polyketide with formula C31H38N2O7 initially isolated from Streptomyces parvulus as a result of a random screening program for farnesyl transferase (FTase) inhibitors. It is a natural product that exhibits anticancer and antibiotic properties. | 2.88 | 4 | 0 | enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol | antiatherosclerotic agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; marine metabolite |
| squalestatin 1 squalestatin 1: structure given in first source; inhibits both mammalian and fungal squalene synthetase; from fungus Phoma sp (Coelomycetes). zaragozic acid A : A polyketide isolated from fungi that is a potent inhibitor of fungal and mammalian squalene synthase. | 2.03 | 1 | 0 | acetate ester; cyclic ketal; oxabicycloalkane; polyketide; tertiary alcohol; tricarboxylic acid | EC 2.5.1.21 (squalene synthase) inhibitor; fungal metabolite |
| oxonol v oxonol V: fluorescent probe; see also record for oxonol dyes (isoxazole); structure | 2.65 | 3 | 0 | ||
| diffusomycin diffusomycin: structure in first source | 2.03 | 1 | 0 | ||
| herboxidiene herboxidiene: structure in first source; isolated from Streptomyces chromofuscus; a potent and selective herbicide (e.g. inactive against wheat); up-regulates the gene expression of LDL receptor | 2.5 | 2 | 0 | ||
| 5-phenylpent-4-enyl-1-hydroperoxide [no description available] | 3.92 | 13 | 0 | ||
| patulolide a patulolide A: from Penicillium urticae; structure given in first source | 2.7 | 3 | 0 | ||
| oudemansin oudemansin: strong antifungal properties & inhibits respiration in fungi, cells of ascitic form of EHRLICH carcinoma & rat liver mitochondria; structure; biological activity depends on methoxyacrylate moiety | 2.37 | 2 | 0 | styrenes | |
| luminamicin luminamicin: active against anaerobic bacteria, especially Clostridium sp.; isolated from actinomycete strain OMR-59; MF: C32-H38-O12 | 2.41 | 1 | 0 | ||
| vicenistatin vicenistatin: a macrocyclic lactam from Streptomyces sp. HC34; structure given in first source | 2.02 | 1 | 0 | azamacrocycle; lactam | |
| napyradiomycin a1 napyradiomycin A1: from culture broth Chainia rubra MG802-AF1; structure given in first source | 2.05 | 1 | 0 | menaquinones | |
| 4-o-carboxymethylascochlorin 4-O-carboxymethylascochlorin: RN given refers to (1R-(1alpha(2E,4E),2beta,6beta))-isomer | 2.42 | 2 | 0 | ||
| tautomycetin tautomycetin: isolated from Streptomyces griseochromogenes | 2.05 | 1 | 0 | sesquiterpenoid | |
| 9-(3-oxoprop-1-enyl)adenine 9-(3-oxoprop-1-enyl)adenine: structure in first source | 1.98 | 1 | 0 | ||
| amphidinolide d amphidinolide D: a cytotoxic macrolide from Amphidinium; RN (from CA Index Guide 1989) refers to amphidinolide B (epimer of amphidinolide D); structure given in first source | 2.06 | 1 | 0 | ||
| be 14106 BE 14106: structure given in first source; isolated from Streptomyces; inhibits growth of vincristine-resistant murine leukemia cells | 2.02 | 1 | 0 | ||
| leustroducsin b leustroducsin B: from Streptomyces platensis SANK 60191; structure in first source | 2.04 | 1 | 0 | ||
| 3-(thymin-1'-yl)-2-propenal 3-(thymin-1'-yl)-2-propenal: structure given in first source; RN given refers to cpd without isomeric designation | 1.98 | 1 | 0 | ||
| pd 113271 PD 113271: from Streptomyces pulveraceus; structure given in second source | 4.18 | 5 | 0 | ||
| eicosa-5,11,14-trienoic acid eicosa-5,11,14-trienoic acid: RN given refers to cpd without isomeric designation | 2.17 | 1 | 0 | ||
| tetracosenoic acid tetracosenoic acid: structure given in first source; RN given refers to cpd without isomeric designation. tetracosenoic acid : Any C24 monounsaturated fatty acid containing one double bond. | 1.98 | 1 | 0 | ||
| caftaric acid [no description available] | 2.07 | 1 | 0 | hydroxycinnamic acid | |
| comfrey Comfrey: Perennial herb Symphytum officinale, in the family Boraginaceae, used topically for wound healing. It contains ALLANTOIN, carotene, essential oils (OILS, VOLATILE); GLYCOSIDES; mucilage, resin, SAPONINS; TANNINS; triterpenoids, VITAMIN B12, and ZINC. Comfrey also contains PYRROLIZIDINE ALKALOIDS and is hepatotoxic if ingested. | 2.49 | 2 | 0 | ||
| valerenic acid valerenic acid: a saturated oplopanone type indene from Valeriana officinalis. valerenic acid : A monocarboxylic acid that is 2-methylprop-2-enoic acid which is substituted at position 3 by a 3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl group. A bicyclic sesquiterpenoid constituent of the essential oil of the Valerian plant. | 2.05 | 1 | 0 | carbobicyclic compound; monocarboxylic acid; sesquiterpenoid | GABA modulator; plant metabolite; sedative; volatile oil component |
| zeatin riboside zeatin riboside: RN given refers to parent cpd. 9-ribosyl-trans-zeatin : A 9-ribosylzeatin having trans-zeatin as the nucleobase. | 1.94 | 1 | 0 | 9-ribosylzeatin; nucleoside analogue | cytokinin; plant metabolite |
| strobilurin b strobilurin B: structure given in first source; biological activity depends on methoxyacrylate activity. strobilurin B : An enoate ester that is the methyl ester of (2E,3Z,5E)-6-(4-chloro-3-methoxyphenyl)-2-(methoxymethylene)-3-methylhexa-3,5-dienoic acid. | 2.38 | 2 | 0 | enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; monochlorobenzenes; monomethoxybenzene | antifungal agent; fungal metabolite; mitochondrial cytochrome-bc1 complex inhibitor |
| strobilurin g strobilurin G: from Bolinea lutea; structure given in first source | 2 | 1 | 0 | ||
| 4-o-methylascochlorin 4-O-methylascochlorin: causes unusual concentration of urine & prevents polydipsia in DOCA hypertensive rats; structure given in first source | 2.06 | 1 | 0 | ||
| ciguatoxin 3c ciguatoxin 3C: structure in first source | 2.71 | 3 | 0 | ||
| guineensine guineensine: an Acyl-CoA: cholesterol acyltransferase inhibitor, from the fruits of Piper longum; structure in first sourc | 3.68 | 9 | 0 | benzodioxoles | |
| amphidinolide a amphidinolide A: structure in first source | 2.01 | 1 | 0 | ||
| amphidinolide c amphidinolide C: a potent cytotoxic 25-membered macrolide from marine dinoflagellate Amphidinium sp.; structure in first source | 2.25 | 1 | 0 | ||
| phoslactomycin a phoslactomycin A: structure given in first source; isolated from Streptomyces nigrescens SC-273 | 2.05 | 1 | 0 | ||
| bengamide e bengamide E: isolated from a Jaspidae marine spnoge; from structure in first source | 2.78 | 3 | 0 | N-acyl-amino acid | |
| fd 891 FD 891: an 18-membered macrolide with an epoxide ring at C8 and C9; the epoxide may play an important role in its cytocidal activity; structure given in first source | 2.03 | 1 | 0 | ||
| kedarcidin chromophore kedarcidin chromophore: a 9-membered enediyne, isolated from an actinomycete strain; embedded in kedarcidin peptide; extremely active against P388 leukemia & B16 melanoma; structure given in first source | 2.02 | 1 | 0 | ||
| ratjadone ratjadone: structure in first source | 2.04 | 1 | 0 | ||
| pyrenophorin pyrenophorin: pyrenophorin is (8R-(3E,8R*,11E,16R*))-isomer; structure | 7 | 1 | 0 | ||
| 4-oxo-2-nonenal 4-oxo-2-nonenal: reacts with 2'-deoxyguanosine; a product of lipid peroxidation; structure in first source. (E)-4-oxonon-2-enal : The enal that is (E)-non-2-enal substituted with an oxo group at C-4. | 2.07 | 1 | 0 | enal; enone | human metabolite |
| fr 901464 FR 901464: isolated from Pseudomonas; structure in first source | 3.83 | 3 | 0 | ||
| salvianolic acid B salvianolic acid B: isolated from Salvia miltiorrhiza. salvianolic acid B : A member of the class of 1-benzofurans that is an antioxidant and free radical scavenging compound extracted from S. miltiorrhiza | 3.52 | 7 | 0 | 1-benzofurans; catechols; dicarboxylic acid; enoate ester; polyphenol | anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; apoptosis inducer; autophagy inhibitor; cardioprotective agent; hepatoprotective agent; hypoglycemic agent; neuroprotective agent; osteogenesis regulator; plant metabolite |
| oxepins Oxepins: Compounds based on a 7-membered heterocyclic ring including an oxygen. They can be considered a medium ring ether. A natural source is the MONTANOA plant genus. Some dibenzo-dioxepins, called depsidones, are found in GARCINIA plants. | 3.42 | 7 | 0 | ||
| sodium oxybate crocacin C: structure in first source | 3.3 | 6 | 0 | ||
| desmosdumotin c desmosdumotin C: an antitumor agent; structure in first source | 3.44 | 7 | 0 | olefinic compound | |
| anibamine anibamine: a pyridine quaternary alkaloid from Aniba sp.; structure in first source | 2.06 | 1 | 0 | ||
| noladin ether noladin ether: a cannabinoid CB1 receptor agonist; structure in first source. 2-arachidonyl glyceryl ether : A monoalkylglycerol that is glycerol which is substituted by a (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl group at position 2. | 2.06 | 1 | 0 | 2-alkylglycerol; endocannabinoid; monoalkylglycerol | |
| decarestrictine d decarestrictine D: from Penicillium; structure given in above journal p.66-73 | 2.73 | 3 | 0 | oxacycle | |
| beta-escin [no description available] | 3.52 | 7 | 0 | ||
| arteannuin b [no description available] | 2.6 | 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 |
| ergoline Ergolines: A series of structurally-related alkaloids that contain the ergoline backbone structure.. ergoline : An indole alkaloid whose structural skeleton is found in many naturally occurring and synthetic ergolines which are known to bind to neurotransmitter receptors, such as dopamine, noradrenaline and serotonin receptors and function as unselective agonists or antagonists at these receptors. | 2.41 | 1 | 0 | diamine; ergoline alkaloid; indole alkaloid fundamental parent; indole alkaloid; organic heterotetracyclic compound | |
| corrole corrole: structure in first source. corrole : A tetrapyrrole fundamental parent that is the octadehydro drivative of corrin. | 3.16 | 5 | 0 | ||
| platensimycin platensimycin: has antidiabetic and antisteatotic activities; a pentacyclic ketolide (structurally similar to adamantane) connected by an amide bond to 3-amino-2,4-dihydroxybenzoic acid; inhibits cellular lipid biosynthesis; discovered while screening compounds from Streptomyces platensis bacteria in a South African soil sample with S. aureus bacteria deficient in FabF protein; structure in first source. platensimycin : A monocarboxylic acid amide obtained by the formal condensation of the amino group of 3-amino-2,4-dihydroxybenzoic acid with the carboxy group of the oxatetracyclic cage component. It is an antibiotic isolated from Streptomyces platensis and exhibits inhibitory activity against fatty acid synthase. | 2.45 | 2 | 0 | aromatic amide; cyclic ether; cyclic ketone; dihydroxybenzoic acid; monocarboxylic acid amide; polycyclic cage | antibacterial agent; antimicrobial agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor |
| fostriecin fostriecin: compound contains a conjugated triene and an unsaturated lactone; from Streptomyces pulveraceus; structure given in second source. fostriecin : A structurally unique, naturally-occurring phosphate monoester isolated from the soil bacterium Streptomyces pulveraceus. It inhibits DNA topoisomerase II as well as several protein phosphatase including PP2A and PPA4, and exhibits potent antitumor activity against several cancer cell lines. | 10.37 | 82 | 2 | 2-pyranones; olefinic compound; phosphate monoester; polyketide; primary allylic alcohol; secondary allylic alcohol; triol | antineoplastic agent; apoptosis inhibitor; bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; topoisomerase II inhibitor |
| beta-elemene beta-elemene: increases tumor cell immunogenicity by inducing, at least in part, elevated expression of heat shock protein 70 on tumor cell surface. beta-elemene : A sesquiterpene that consists of cyclohexane bearing methyl and vinyl substituents at position 1 as well as two isopropenyl substituents at positions 2 and 4.. (-)-beta-elemene : The (-)-enantiomer of beta-elemene that has (1S,2S,4R)-configuration. | 3.38 | 6 | 0 | beta-elemene | antineoplastic agent |
| laulimalide laulimalide: isolated from Cacospongia mycofijiensis; structure in first source. laulimalide : A macrolide with formula C30H42O7 that is isolated from the marine sponges, Cacospongia mycofijiensis and Hyattella sp. | 2.48 | 2 | 0 | carboxylic ester; epoxide; macrolide; secondary alcohol; secondary allylic alcohol | animal metabolite; antimitotic; antineoplastic agent; marine metabolite; microtubule-stabilising agent |
| altenusin altenusin: structure given in first source. altenusin : A carboxybiphenyl that is [biphenyl]-2-carboxylic acid which is substituted by a hydroxy group at positions 3, 4' and 5', methoxy group at position 5 and a methyl group at position 2'. It is a a metabolite isolated from Alternaria and several other fungal species. | 2.01 | 1 | 0 | aromatic ether; carboxybiphenyl; catechols; hydroxybiphenyls; polyphenol | antifungal agent; fungal metabolite |
| rwj-333369 S-2-O-carbamoyl-1-o-chlorophenyl-ethanol: neuromodulator/Antiepileptic Agent; structure in first source | 2.04 | 1 | 0 | organochlorine compound | |
| fludelone fludelone: structure in first source | 2.07 | 1 | 0 | ||
| bornyl acetate [no description available] | 2.06 | 1 | 0 | acetate ester; monoterpenoid | |
| staurosporine staurosporinium : Conjugate acid of staurosporine. | 2.91 | 4 | 0 | ammonium ion derivative | |
| hypericum Hypericum: Genus of perennial plants in the family CLUSIACEAE (sometimes classified as Hypericaceae). Herbal and homeopathic preparations are used for depression, neuralgias, and a variety of other conditions. Hypericum contains flavonoids; GLYCOSIDES; mucilage, TANNINS; volatile oils (OILS, ESSENTIAL), hypericin and hyperforin.. 6-formamidopenicillanic acid : A penicillanic acid having a (6R)-formamido substituent. | 3.12 | 1 | 0 | penicillanic acids | |
| taxane taxane: produced by Taxomyces andreanae | 3.16 | 5 | 0 | diterpene; terpenoid fundamental parent | |
| mannich bases Mannich Bases: Ketonic amines prepared from the condensation of a ketone with formaldehyde and ammonia or a primary or secondary amine. A Mannich base can act as the equivalent of an alpha,beta unsaturated ketone in synthesis or can be reduced to form physiologically active amino alcohols. | 2.05 | 1 | 0 | ||
| fenpyroximate fenpyroximate: structure in first source | 2.44 | 2 | 0 | pyrazole acaricide; tert-butyl ester | mitochondrial NADH:ubiquinone reductase inhibitor |
| oxamyl oxamyl: RN given refers to parent cpd; structure | 2.17 | 1 | 0 | ||
| s-allylcysteine S-allylcysteine: structure in first source; RN given refers to (L)-isomer. S-allylcysteine : An S-hydrocarbyl-L-cysteine that is L-cysteine in which the hydrogen attached to the sulphur is replaced by a prop-2-enyl group. It commonly occurs in garlic and has been found to exhibit antineoplastic activity. | 2.05 | 1 | 0 | L-alpha-amino acid zwitterion; S-hydrocarbyl-L-cysteine | antineoplastic agent; metabolite |
| disilver oxide [no description available] | 2.01 | 1 | 0 | ||
| macrosphelide b macrosphelide B: an anti-cell adhesion substance; a 16-membered macrolide antibiotic with 3 ester bonds in the ring structure; structure given in first source | 2.06 | 1 | 0 | ||
| rhizoxin d rhizoxin D: structure in first source | 2.01 | 1 | 0 | ||
| tris(dibenzylideneacetone)dipalladium tris(dibenzylideneacetone)dipalladium: N-myristoyltransferase-1 inhibitor that is effective against melanoma growth in vitro and in vivo | 2.05 | 1 | 0 | ||
| erogorgiaene erogorgiaene: from the West Indian gorgonian octocoral, Pseudopterogorgia elisabethae; structure in first source | 2.02 | 1 | 0 | ||
| dysiherbaine dysiherbaine: an exitotoxic amino acid; structure in first source. dysiherbaine : A furopyran that is (3aR,7aR)-hexahydro-2H-furo[3,2-b]pyran substituted by carboxy, (2S)-2-amino-2-carboxyethyl, hydroxy and methylamino groups at positions 2, 2, 6, and 7, respectively (the 2R,3aR,6S,7R,7aR-stereoisomer). A convulsant isolated from the marine sponge Dysidea herbacea that has high affinity for kainate ionotropic glutamate receptors. | 2.11 | 1 | 0 | amino dicarboxylic acid; furopyran; hydroxy carboxylic acid; secondary amino compound | animal metabolite; excitatory amino acid agonist; marine metabolite; neurotoxin |
| 2-propyl-4,5,5a,6,7,11b-hexahydro-3-thia-5-azacyclopent-1-ena(c)phenanthrene-9,10-diol A 86929: a selective dopamine D1 agonists; structure given in first source | 2.02 | 1 | 0 | ||
| dc 107 leinamycin: a thiazole containing macrolide characterized by an unusual 1,3-dioxo-1,2-dithiolane moiety that is spiro fused to an 18 member macrolactam ring; isolated from Streptomyces; MF C22-H26-N2-O6-S3; possible DNA alkylator; the leinamycin biosynthetic gene cluster from Streptomyces atroolivaceus S-140 consists of two polyketide synthases genes | 2.01 | 1 | 0 | dithiolanes | |
| f 12509a F 12509A: a sphingosine kinase inhibitor; isolated from Trichopezizella barbata; structure in first source | 2.02 | 1 | 0 | ||
| mocetinostat mocetinostat: undergoing phase II clinical trials for treatment of cancer. mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11). | 4.51 | 7 | 0 | aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline | antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent |
| incarvillateine incarvillateine: isolated from the plant Incarvillea sinensis; structure in first source | 2.04 | 1 | 0 | ||
| nicotianamine nicotianamine: an angiotensin I-converting enzyme inhibitor from soy sauce. (S,S,S)-nicotianamine : The (S,S,S)-stereoisomer of nicotianamine. | 2.06 | 1 | 0 | amino acid zwitterion; nicotianamine | chelator; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; plant metabolite |
| desoxyepothilone a epothilone C: structure in first source. epothilone C : An epothilone that is 1-oxacyclohexadec-13-ene-2,6-dione which is substituted by hydroxy groups at positions 4 and 9, methyl groups at positions 5, 5, 7, and 9, and by a (1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl group at position 16 (the 4S,7R,8S,9S,13Z,16S stereoisomer). | 2.06 | 1 | 0 | epothilone | |
| 2,2,2-trifluorodiazoethane 2,2,2-trifluorodiazoethane: structure in first source | 2.25 | 1 | 0 | ||
| es-285 spisulosine: from marine organism, Spisula polynyma; structure in first source. 1-deoxysphinganine : A bioactive sphingoid, sphinganine, in which the terminal hydroxy group has been replaced by a hydrogen. | 2.06 | 1 | 0 | amino alcohol; sphingoid | antineoplastic agent |
| terutroban terutroban: a thromboxan receptor antagonist | 2.11 | 1 | 0 | ||
| zeolites [no description available] | 7.11 | 60 | 0 | ||
| 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. | 4.02 | 13 | 0 | ||
| frondosin a frondosin A: structure in first source | 2.06 | 1 | 0 | ||
| oxosorbicillinol oxosorbicillinol: isolated from Trichoderma; structure in first source | 2.47 | 2 | 0 | ||
| welwitindolinone c isothiocyanate welwitindolinone C isothiocyanate: from blue-green alga Hapalosiphon welwitschii; structure in first source | 2.05 | 1 | 0 | ||
| rugulosin rugulosin: RN given refers to cpd without isomeric designation; structure in first source & in Negwer, 5th ed, #5799 | 2.01 | 1 | 0 | ||
| phosphoramidite phosphoramidite: structure in first source. phosphoramidite : A compound with the general formula (RO)2PNR2. Phosphoramidites can be regarded as phosphites that have an NR2 instead of an OH group, or as amides of phosphorous acid. | 11 | 20 | 0 | ||
| frondosin b frondosin B: from sponge Dysidea frondosa; structure in first source | 2.46 | 2 | 0 | ||
| tjipanazole d tjipanazole D: isolated from Fischerella ambigua; structure in first source | 2.13 | 1 | 0 | ||
| 4-hydroxy-n-desmethyltamoxifen 4-hydroxy-N-desmethyltamoxifen: metabolite of tamoxifen in human bile | 2.17 | 1 | 0 | stilbenoid | |
| bryostatin 7 bryostatin 7: structure in first source | 2.01 | 1 | 0 | ||
| gantacurium gantacurium: Neuromuscular Depolarizing Agents; structure in first source | 2.97 | 1 | 0 | ||
| beta-bisabolene (S)-beta-bisabolene : A beta-bisabolene which has (1S)-configuration.. beta-bisabolene : A bisabolene that is cyclohexene substituted by a methyl group at position 1 and a 6-methylhepta-1,5-dien-2-yl group at position 4. | 2.07 | 1 | 0 | beta-bisabolene | |
| azd 6244 AZD 6244: a MEK inhibitor | 2.1 | 1 | 0 | benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| desnitroimidacloprid desnitroimidacloprid: a nicotinic receptor agonist; structure in first source | 2.31 | 1 | 0 | ||
| levodione levodione: structure in first source. levodione : A member of the class of cyclohexanones that is cyclohexane-1,4-dionecarrying a gem-dimethyl group at position 2 and an additional methyl substituent at position 6 (the R-enantiomer). | 2.1 | 1 | 0 | cyclohexanones | bacterial metabolite |
| acutumine acutumine: dechloroacutumine is the dechloro derivative of acutumine | 2.03 | 1 | 0 | alkaloid | |
| sargahydroquinoic acid sargahydroquinoic acid: vasodilatator from the brown alga Sargassum macrocarpum; structure in first source | 4.09 | 13 | 0 | ||
| fluorapatite fluorapatite: RN refers to fluorapatite [Ca5F(PO4)3]). apatite : A phosphate mineral with the general formula Ca5(PO4)3X where X = OH, F or Cl.. fluorapatite : A phosphate mineral with the formula Ca5(PO4)3F. | 2.04 | 1 | 0 | ||
| dihydrokavain dihydrokavain: inhibits binding of batrachotoxinin-A 20-alpha-benzoate to receptor site 2 of voltage-gated sodium channels | 2.02 | 1 | 0 | 2-pyranones; aromatic ether | |
| arisugacin arisugacin: isolated from Penicillium sp. FO-4259; structure given in first source. arisugacin A : An organic heterotetracyclic compound that is 4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione substituted by 3,4-dimethoxyphenyl group at position 9 (the 4aR,6aR,12aS,12bS steroisomer). Isolated from the culture broth of Penicillium, it acts as a selective inhibitor of acetylcholinesterase. | 2 | 1 | 0 | aromatic ether; delta-lactone; enone; organic heterotetracyclic compound; tertiary alcohol | antimicrobial agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; Penicillium metabolite |
| lepadiformine lepadiformine: isolated from Clavelina lepadiformis (Muller) and C. molluccensis (Sluiter); structure in first source | 2.05 | 1 | 0 | ||
| alpha-synuclein alpha-Synuclein: A synuclein that is a major component of LEWY BODIES and plays a role in SYNUCLEINOPATHIES, neurodegeneration and neuroprotection. | 2.72 | 2 | 0 | ||
| pyridine borane pyridine borane: reduces tryptophan to dihydrotryptophan; inactivates lysozyme in trifluoroacetic acid | 2.02 | 1 | 0 | ||
| scytophycin c scytophycin C: structure in first source | 2.01 | 1 | 0 | diterpene lactone | |
| nafuredin nafuredin: inhibits fumarate reductase (NADH); structure in first source | 2.5 | 2 | 0 | ||
| fentonium fentonium: less effect on eye, heart & gland functions than atropine; proposed for therapy of gastrointestinal ulcers; minor descriptor (78-84); on-line & Index Medicus search ATROPINE DERIVATIVES (78-84); RN given refers to bromide(3(S)-endo)-isomer | 2.05 | 1 | 0 | ||
| cylindrocyclophane a cylindrocyclophane A: structure in first source | 2 | 1 | 0 | ||
| gigantecin gigantecin: structure given in first source; isolated from the stem bark of Goniothalamus gigateus; a tetrahydroxy-di-tetrahydrofuran fatty acid gamma-lactone (acetogenin) | 2.03 | 1 | 0 | ||
| 1,6-anhydro-beta-d-mannopyranose mannosan: structure in first source | 1.92 | 1 | 0 | ||
| myrsinoic acid b myrsinoic acid B: from Myrsine seguinii; structure in first source. myrsinoic acid B : A member of the class of 1-benzofurans that is 2,3-dihydro-1-benzofuran substituted by a carboxy group at position 5, a 1',5'-dimethyl-1'-hydroxy-4'-hexenyl group at position 2 and a prenyl group at position 7. Isolated from Myrsine seguinii, it exhibits anti-inflammatory activity. | 4.77 | 9 | 0 | 1-benzofurans; monocarboxylic acid | anti-inflammatory agent; EC 4.4.1.11 (methionine gamma-lyase) inhibitor; metabolite |
| guanacastepene guanacastepene: isolated from an unidentified fungus; structure in first source | 2 | 1 | 0 | ||
| amphidinolide p amphidinolide P: structure in first source | 2.42 | 2 | 0 | ||
| 4-hna 4-hydroxynonenoic acid: metabolite of 4-hydroxynonenal; structure in first source. 4-hydroxynon-2-enoic acid : A medium-chain fatty acid that is non-2-enoic acid substituted at position 4 by a hydroxy group.. (2E)-4-hydroxynon-2-enoic acid : A 4-hydroxynon-2-enoic acid in which the double bond has (E)-configuration. | 2.4 | 2 | 0 | 4-hydroxynon-2-enoic acid | |
| hirsutene hirsutene: structure in first source | 2.08 | 1 | 0 | ||
| pseudodeflectusin pseudodeflectusin: was isolated from a culture broth of Aspergillus pseudodeflectus; structure in first source | 2.07 | 1 | 0 | ||
| bacilysin bacilysin: structure. bacilysin : A non-ribosomally synthesised dipeptide that consists of L-alanyl and anticapsin units linked by a peptide bond. | 2.07 | 1 | 0 | ||
| lepadin f lepadin F: cis-decahydroquinoline alkaloid from the Australian ascidian Aplidium tabascum; structure in first source | 2.04 | 1 | 0 | ||
| sargachromenol sargachromenol: nerve growth factor-potentiating substance from Sargassum macrocarpum; structure in first source | 3 | 4 | 0 | ||
| okilactomycin okilactomycin: from actinomycetes strain YP-02908L; structure given in first source | 2.06 | 1 | 0 | ||
| jesterone jesterone: structure in first source | 3.11 | 5 | 0 | ||
| oxadiazoles Oxadiazoles: Compounds containing five-membered heteroaromatic rings containing two carbons, two nitrogens, and one oxygen atom which exist in various regioisomeric forms. | 3.33 | 6 | 0 | ||
| 10-hydroxyasimicin 10-hydroxyasimicin: a bis-tetrahydrofuran acetogenin with 4 hydroxyl groups; from Asimina triloba; structure given in first source | 2.04 | 1 | 0 | ||
| bryostatin 16 bryostatin 16: from Bugula neritina; structure given in first source | 2.04 | 1 | 0 | ||
| dolabelide c dolabelide C: from sea hare, Dolabella auricularia (family Aplysiidae); structure in first source | 2.03 | 1 | 0 | ||
| spliceostatin a spliceostatin A: antiangiogenic agent that blocks expression of VEGF; structure in first source | 2.1 | 1 | 0 | ||
| apicularen a apicularen A: isolated from Chondromyces; structure in first source | 3.54 | 2 | 0 | ||
| nodulisporic acid a nodulisporic acid A: a novel indole diterpene insecticide; structure in first source | 2.01 | 1 | 0 | ||
| leucascandrolide a leucascandrolide A: structure in first source | 2.03 | 1 | 0 | ||
| brevetoxin a Brevetoxin A: structure given in first source; from dinoflagellate, Gymnodinium breve. brevetoxin A : A ciguatoxin comprising a linear sequence of ten trans-fused five-, six-, eight- and nine-membered rings. | 2.05 | 1 | 0 | ciguatoxin | |
| rubrenolide rubrenolide: structure in first source | 3.18 | 5 | 0 | ||
| frontalin [no description available] | 2.05 | 1 | 0 | ||
| imperanene imperanene: a phenolic compound; isolated from Imperata cylindrica; structure given in first source | 2.05 | 1 | 0 | ||
| artemisic acid artemisic acid: isolated from Artemisia annua; MF: C28-H58-O; RN from Toxline. (+)-artemisinic acid : A monocarboxylic acid that is prop-2-enoic acid which is substituted at position 2 by a 4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl group (the 1S,4R,4aS,8aR diastereoisomer). It is a sesquiterpenoid precursor of artemisinin, obtained from sweet wormwood, Artemisia annua. | 2.6 | 1 | 0 | carbobicyclic compound; monocarboxylic acid; octahydronaphthalenes; sesquiterpenoid | metabolite |
| lennoxamine lennoxamine: structure in first source | 2.03 | 1 | 0 | ||
| bitungolide f bitungolide F: structure in first source | 2.97 | 4 | 0 | ||
| ucn 1028 c calphostin C: structure given in first source; isolated from Cladosporium cladosporioides | 1.99 | 1 | 0 | ||
| sporothriolide sporothriolide: a furofurandione; from Sporothrix sp.; structure given in first source. sporothriolide : A furofuran that is (3aR,6aR)-hexahydrofuro[3,4-b]furan substituted by an oxo group at positions 2 and 4, methylene group at position 3 and by an hexyl group at position 6. It is a metabolite isolated from several species of fungi. | 2.31 | 1 | 0 | furofuran; gamma-lactone | antifungal agent; fungal metabolite |
| ribose ribopyranose : The pyranose form of ribose. | 3.14 | 5 | 0 | D-ribose; ribopyranose | |
| retrofractamide a retrofractamide A: structure in first source | 2.77 | 3 | 0 | benzodioxoles | |
| migrastatin migrastatin: inhibits tumor cell migration; isolated from Streptomyces; structure in first source. migrastatin : A 14-membered macrolide which is isolated from Streptomyces sp.MK929-43F1 and inhibits cell migration of human esophageal cancer EC17 cells and mouse melanona B16 cells. | 2.47 | 2 | 0 | ether; macrolide antibiotic; piperidones; secondary alcohol | antineoplastic agent; metabolite |
| dihydroartemisinic acid dihydroartemisinic acid: structure in first source. dihydroartemisinic acid : A monocarboxylic acid that is propanoic acid substituted at position 2 by a (1S,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl group. It is a sesquiterpenoid precursor of the antimalarial drug, artemisinin. | 2.1 | 1 | 0 | carbobicyclic compound; monocarboxylic acid; octahydronaphthalenes; sesquiterpenoid | plant metabolite |
| idopyranose L-idose : The L-stereoisomer of idose.. L-idopyranose : The pyranose form of L-idose. | 1.93 | 1 | 0 | L-idose | |
| horsfiline horsfiline: structure in first source | 2.01 | 1 | 0 | ||
| spongidepsin spongidepsin: a 13-membered depsipeptide isolated from the Vanuatu marine sponge Spongia sp., has shown potent antitumor properties against a variety of NCI tumor cell lines | 7.03 | 1 | 0 | ||
| diplopyrone diplopyrone: a phytotoxic tetrahydropyranpyran-2-one produced by Diplodia mutila; structure in first source | 2.15 | 1 | 0 | ||
| gamendazole gamendazole: Spermatogenesis Blocking Agents; structure in first source. gamendazole : A member of the class of indazoles that is 3-(indazol-3-yl}prop-2-enoic acid carrying additional 2,4-dichlorobenzyl and trifluoromethyl substituents at positions 1 and 6 respectively. An orally active antispermatogenic compound with antifertility effects that is a potential male contraceptive drug. | 2.11 | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; dichlorobenzene; indazoles; olefinic compound; organofluorine compound | antispermatogenic agent; eukaryotic translation elongation factor 1alpha 1 inhibitor; Hsp90 inhibitor; synthetic oral contraceptive |
| hyperolactone c hyperolactone C: structure in first source | 2.04 | 1 | 0 | ||
| phenylnitrene [no description available] | 4.69 | 8 | 0 | ||
| epiquinamide epiquinamide: quinolizidine alkaloid and nicotinic agonist from an Ecuadoran poison frog, Epipedobates tricolor; structure in first source | 2.11 | 1 | 0 | ||
| spirolaxine methyl ether spirolaxine methyl ether: structure in first source | 2.03 | 1 | 0 | ||
| scyphostatin scyphostatin: a neutral sphingomyelinase inhibitor isolated from Trichopeziza mollissima; structure in first source | 7.05 | 1 | 0 | cyclohexenones | |
| ascochlorin ascochlorin: structure in first source. ascochlorin : A dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde which is substituted by a (1E,3E)-3-methyl-1-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-1,3-dien-5-yl group at position 3, chlorine at position 5, and a methyl group at position 6. A meroterpenoid produced by several fungi including Ascochyta viciae . It exhibits anticancer, antifungal and antiprotozoal activities. | 6.51 | 33 | 0 | cyclohexanones; dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid | angiogenesis inhibitor; antifungal agent; antineoplastic agent; antiprotozoal drug; fungal metabolite |
| lineatin lineatin: RN given refers to (1R-(1alpha,2beta,5alpha,7beta))-isomer; pheromone isolated from the frass of the female ambrosia beetle Trypodendron lineatum Olivier, which is a deleterious pest to coniferous forests in Europe and North America | 2.04 | 1 | 0 | ||
| lavandulyl senecioate lavandulyl senecioate: sex pheromone of the vine mealybug Planococcus ficus Signoret ; structure in first source | 2.71 | 3 | 0 | ||
| cardanol cardanol: from pink pepper; phenol with hydrocarbon side chain which can vary in length & unsaturation | 3.46 | 2 | 0 | phenols | |
| dysidiolide dysidiolide: inhibits the protein tyrosine phosphatase CDC25; cladocoran B is the olefinic regioisomer; structure in first source | 2 | 1 | 0 | ||
| 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene: structure in first source | 2.06 | 1 | 0 | ||
| nystatin a1 Nystatin: Macrolide antifungal antibiotic complex produced by Streptomyces noursei, S. aureus, and other Streptomyces species. The biologically active components of the complex are nystatin A1, A2, and A3.. nystatin : A heterogeneous mixture of polyene compounds produced by cultures of Streptomyces noursei. It mainly consists of three biologically active components designated nystatin A1, nystatin A2, and nystatin A3. It is used to treat oral and dermal fungal infections.. nystatin A1 : A polyene macrolide antibiotic; part of the nystatin complex produced by several Streptomyces species. It is an antifungal antibiotic used for the treatment of topical fungal infections caused by a broad spectrum of fungal pathogens comprising yeast-like and filamentous species. | 5.12 | 15 | 0 | nystatins | |
| apoptolidin apoptolidin: an apoptosis inducer in transformed cells from Nocardiopsis sp.; structure in first source | 2.42 | 2 | 0 | ||
| rhazinilam rhazinilam: tetracyclic structure comprises phenyl-pyrrole bridged by a nine-membered lactam ring; novel alkaloid isolated from Aspidosperma quebrachoblanco leaves; possesses mild analgesic activity in mice; RN given refers to (8aR-(8aR*,14aR*))-isomer; structure | 2.1 | 1 | 0 | ||
| lasonolide a lasonolide A: structure in first source | 2.13 | 1 | 0 | ||
| peloruside a peloruside A: Antibiotics, Antineoplastic from the sponge Mycale; structure in first source. peloruside A : A macrolide that is a novel secondary metabolite isolated from a New Zealand marine sponge, Mycale hentscheli. | 2.46 | 2 | 0 | ||
| pauciflorol f pauciflorol F: from the stem bark of Vatica pauciflora; structure in first source | 2.05 | 1 | 0 | ||
| complanadine a complanadine A: a Lycopodium alkaloid; structure in first source | 2.08 | 1 | 0 | ||
| zampanolide zampanolide: structure in first source | 2.04 | 1 | 0 | ||
| complanadine b complanadine B: isolated from Lycopodium complanatum; structure in first source | 2.08 | 1 | 0 | ||
| phoslactomycin b phoslactomycin B: structure given in first source; isolated from Streptomyces nigrescens SC-273 | 2.05 | 1 | 0 | 2-pyranones | |
| carfilzomib [no description available] | 2.31 | 1 | 0 | epoxide; morpholines; tetrapeptide | antineoplastic agent; proteasome inhibitor |
| cortistatin a cortistatin A: structure in first source. cortistatin A : A member of the class of cortistatins that is substituted by hydroxy groups at positions 1 and 2, a dimethylamino group at the 3alpha position and an isoquinolin-7-yl group at the 17 position, with double bonds at the 9-11 and 10-19 positions (the 1R,2R,17beta enantiomer). | 2.05 | 1 | 0 | cortistatins; diol; secondary alcohol | |
| marinomycin a marinomycin A: antitumor-antibiotic, isolated from the saline culture of a new group of marine actinomycetes; structure in first source | 4.66 | 8 | 0 | ||
| veratridine Veratridine: A benzoate-cevane found in VERATRUM and Schoenocaulon. It activates SODIUM CHANNELS to stay open longer than normal. | 1.95 | 1 | 0 | ||
| prolyl-proline Pro-Pro : A dipeptide formed from two L-proline residues. | 2.77 | 3 | 0 | dipeptide | human urinary metabolite; Mycoplasma genitalium metabolite |
| diospongin a diospongin A: structure in first source | 2.08 | 1 | 0 | ||
| nepetalactol nepetalactol: a sex pheromone isolated from the potato aphid, Macrosiphum euphorbiae; structure in first source. cis-trans-nepetalactol : A cyclopentapyran that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by a hydroxy group and at positions 4 and 7 by methyl groups (the 4aS,7S,7aR-diastereomer) | 2.17 | 1 | 0 | cyclopentapyran; lactol | |
| uncialamycin uncialamycin: enediyne antibiotic; structure in first source | 2.05 | 1 | 0 | ||
| lactimidomycin lactimidomycin: a glutarimide antibiotic isolated from Streptomyces amphibiosporus | 2.06 | 1 | 0 | macrolide | |
| glyoxamide glyoxamide : The simplest of the class of glyoxamides, with no substitution on nitrogen. | 2.46 | 2 | 0 | glyoxamides | |
| avrainvillamide avrainvillamide: from Aspergillus sp.; structure in first source | 2.01 | 1 | 0 | 1-benzopyran | |
| thioviridamide thioviridamide: an antineoplastic antibiotic isolated from Streptomyces olivoviridis; structure in first source | 2.04 | 1 | 0 | ||
| galactosan galactosan: structure in first source | 1.92 | 1 | 0 | ||
| losartan potassium Erythropoietin: Glycoprotein hormone, secreted chiefly by the KIDNEY in the adult and the LIVER in the FETUS, that acts on erythroid stem cells of the BONE MARROW to stimulate proliferation and differentiation. | 2.13 | 1 | 0 | ||
| pristinamycin iib virginiamycin M2: structure in first source | 2.06 | 1 | 0 | ||
| vinyl triflate vinyl triflate: structure in first source | 8.88 | 3 | 0 | ||
| zaragozic acid c zaragozic acid C: structure given in first source; a fungal metabolite. zaragozic acid C : A polyketide isolated from fungi that is a potent inhibitor of fungal and mammalian squalene synthase. | 2.03 | 1 | 0 | acetate ester; cyclic ketal; oxabicycloalkane; polyketide; tertiary alcohol; tricarboxylic acid | EC 2.5.1.21 (squalene synthase) inhibitor; fungal metabolite |
| trifluoromethylcopper trifluoromethylcopper: structure in first source | 2.03 | 1 | 0 | ||
| imidazolone imidazolone: a reaction product of arginine with 3-deoxyglucosone which markedly accumulates in uremic serum; structure in first source | 2.81 | 3 | 0 | organonitrogen heterocyclic compound | |
| pyripyropene a pyripyropene A: from Aspergillus fumigatus FO-1289; structure given in first source. pyripyropene A : A sesquiterpenoid that consists of (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-4-(acetoxymethyl)-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromene-3,6-diol in which the hydrogens of the 3- and 6-hydroxy functions are substituted by acetyl groups. | 3.41 | 1 | 0 | organic heterotetracyclic compound; sesquiterpenoid | acyl-CoA:cholesterol acyltransferase 2 inhibitor; metabolite |
| aplyronine a aplyronine A: depolymerizes actin; potent antitumor cpd from the sea hare Aplysia kurodai; structure in first source | 2.06 | 1 | 0 | ||
| intricarene intricarene: trispiropentacyclic diterpene from the Caribbean gorgonian octocoral Pseudopterogorgia kallos; structure in first source | 2.04 | 1 | 0 | ||
| calcimycin Calcimycin: An ionophorous, polyether antibiotic from Streptomyces chartreusensis. It binds and transports CALCIUM and other divalent cations across membranes and uncouples oxidative phosphorylation while inhibiting ATPase of rat liver mitochondria. The substance is used mostly as a biochemical tool to study the role of divalent cations in various biological systems. | 2.36 | 2 | 0 | benzoxazole | |
| ferryl iron [no description available] | 2.43 | 2 | 0 | ||
| perferryl iron [no description available] | 2.06 | 1 | 0 | ||
| cytotrienin a cytotrienin A: induces apoptosis in leukemia cells; structure in first source. cytotrienin A : A 21-membered macrocyclic lactam which contains three conjugated double bonds as part of the ring system. It acts as an apoptosis inducer in human leukemia HL-60 cells and is isolated from Streptomyces sp. | 2.02 | 1 | 0 | cyclopropanecarboxylate ester; ether; hydroquinones; lactam; macrocycle; secondary alcohol | antibacterial agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; metabolite |
| delta-1-pyrroline-5-carboxylate delta-1-pyrroline-5-carboxylate: (L)-isomer is the biologically active form; RN given refers to cpd without isomeric designation; structure | 2.02 | 1 | 0 | 1-pyrroline-5-carboxylate | |
| 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. | 2.02 | 1 | 0 | ||
| scopolamine hydrobromide [no description available] | 1.94 | 1 | 0 | ||
| virginiamycin Virginiamycin: A cyclic polypeptide antibiotic complex from Streptomyces virginiae, S. loidensis, S. mitakaensis, S. pristina-spiralis, S. ostreogriseus, and others. It consists of 2 major components, VIRGINIAMYCIN FACTOR M1 and virginiamycin Factor S1. It is used to treat infections with gram-positive organisms and as a growth promoter in cattle, swine, and poultry.. virginiamycin : A mixture of cyclic polypeptide streptogramin antibiotics produced by Streptomyces virginiae, S. loidensis, S. mitakaensis, S. pristina-spiralis, S. ostreogriseus, and others. The two major components are virginiamycin M1 (also known as pristinamycin IIA) and virginiamycin S1. Virginiamycin has been widely used as a growth promotion agent in livestock and has been to have bacteriostatic activity against Gram-positive organisms such as staphylococci and streptococci. | 2.06 | 1 | 0 | ||
| hedychenone hedychenone: from Hedychium yunnanense | 2.03 | 1 | 0 | ||
| resorcinarene resorcinarene: structure in first source | 2.48 | 2 | 0 | ||
| coerulescine coerulescine: structure in first source | 2.01 | 1 | 0 | ||
| phytosterols Phytosterols: A class of organic compounds known as sterols or STEROIDS derived from plants.. phytosterols : Sterols similar to cholesterol which occur in plants and vary only in carbon side chains and/or presence or absence of a double bond. | 2.69 | 3 | 0 | ||
| cyclopenin cyclopenin: Penicillium metabolite; structure | 2.13 | 1 | 0 | ||
| rifamycins [no description available] | 2.02 | 1 | 0 | ||
| titanocene titanocene: C10-H10-Ti. titanocene : A bis(eta(5)-cyclopentadienyl)metal(II) having Ti(II) as the metal(II) species. The parent of the class of titanonocenes. | 4.24 | 5 | 0 | ||
| decahydroquinoline-5-carboxylic acid decahydroquinoline-5-carboxylic acid: contains GABA moiety; RN given refers to HCl, (4a alpha,5 alpha,8a alpha)-isomer; structure given in first source | 2.31 | 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. | 1.95 | 1 | 0 | ||
| mefloquine Mefloquine: A phospholipid-interacting antimalarial drug (ANTIMALARIALS). It is very effective against PLASMODIUM FALCIPARUM with very few side effects.. mefloquine : A racemate composed of (+)-(11R,2'S)- and (-)-(11S,2'R)-enantiomers of mefloquine. An antimalarial agent which acts as a blood schizonticide; its mechanism of action is unknown. | 2.08 | 1 | 0 | ||
| 6-acetoxy-5-hexadecanolide 6-acetoxy-5-hexadecanolide: an egg raft pheromone; a mosquito oviposition attractant; RN given refers to (-)-(5R,6S)-isomer | 2.17 | 1 | 0 | ||
| 3-azabicyclo(3.1.0)hexane 3-azabicyclo(3.1.0)hexane: structure in first source | 2.05 | 1 | 0 | ||
| ants Ants: Insects of the family Formicidae, very common and widespread, probably the most successful of all the insect groups. All ants are social insects, and most colonies contain three castes, queens, males, and workers. Their habits are often very elaborate and a great many studies have been made of ant behavior. Ants produce a number of secretions that function in offense, defense, and communication. (From Borror, et al., An Introduction to the Study of Insects, 4th ed, p676) | 4.92 | 11 | 0 | ||
| bleomycetin bleomycetin: RN given refers to parent cpd | 2 | 1 | 0 | ||
| silver carbonate [no description available] | 2.5 | 2 | 0 | ||
| salvianolic acid c salvianolic acid C: mTOR inhibitor from Salvia miltiorrhiza | 4.52 | 20 | 0 | benzofurans | |
| deoxoartemisinin deoxoartemisinin: structure given in first source | 2.42 | 2 | 0 | ||
| lyoniside lyoniside: see also eleutherosides & syringin for eleutheroside B: 118-34-3; RN given refers to (3beta)-isomer | 2.07 | 1 | 0 | ||
| discodermolide discodermolide: a lactone-bearing polyhydroxylated alkatetraene from the marine sponge Discodermia dissoluta; microtubule-stabilizing agent like taxol | 3.28 | 6 | 0 | ||
| inthomycin c inthomycin C: from Streptomyces sp,; structure in first source | 2.08 | 1 | 0 | ||
| angustureine angustureine: from Galipea officinalis; structure in first source | 2.05 | 1 | 0 | ||
| homopropargylglycine homopropargylglycine: structure in first source | 2.06 | 1 | 0 | ||
| nad NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety. | 5.71 | 27 | 0 | organophosphate oxoanion | cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite |
| isomigrastatin isomigrastatin: isolated from Streptomyces platensis; structure in first source | 2.11 | 1 | 0 | macrolide | |
| cytochrome c-t Cytochromes c: Cytochromes of the c type that are found in eukaryotic MITOCHONDRIA. They serve as redox intermediates that accept electrons from MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX III and transfer them to MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX IV. | 4.75 | 9 | 0 | ||
| 17,18-epoxy-5,8,11,14-eicosatetraenoic acid 17,18-epoxy-5,8,11,14-eicosatetraenoic acid: can be metabolized to novel epoxyprostaglandins | 2.06 | 1 | 0 | EpETE | metabolite |
| sagittamide a sagittamide A: from tunicate Micronesia; structure in first source | 2.07 | 1 | 0 | ||
| cruentaren a cruentaren A: an antifungal agent isolated from Byssovorax cruenta; structure in first source | 3.14 | 1 | 0 | macrolide | |
| meayamycin meayamycin: inhibits pre-mRNA splicing; has antineoplastic activity; structure in first source | 2.03 | 1 | 0 | ||
| neopeltolide neopeltolide: a macrolide from a lithistid sponge of the family Neopeltidae; structure in first source | 2.11 | 1 | 0 | ||
| st-246 tecovirimat: A potent and specific inhibitor of orthopoxvirus replication. It is used for the treatment of SMALLPOX and other orthopoxvirus infections, including MONKEYPOX under expanded access investigational new drug protocol (https://www.cdc.gov/poxvirus/monkeypox/clinicians/Tecovirimat.html). | 2.13 | 1 | 0 | ||
| cholecystokinin Cholecystokinin: A peptide, of about 33 amino acids, secreted by the upper INTESTINAL MUCOSA and also found in the central nervous system. It causes gallbladder contraction, release of pancreatic exocrine (or digestive) enzymes, and affects other gastrointestinal functions. Cholecystokinin may be the mediator of satiety. | 2.01 | 1 | 0 | ||
| ceruletide Ceruletide: A specific decapeptide obtained from the skin of Hila caerulea, an Australian amphibian. Caerulein is similar in action and composition to CHOLECYSTOKININ. It stimulates gastric, biliary, and pancreatic secretion; and certain smooth muscle. It is used in paralytic ileus and as diagnostic aid in pancreatic malfunction.. ceruletide : A decapeptide comprising 5-oxoprolyl, glutamyl, aspartyl, O-sulfotyrosyl, threonyl, glycyl, tryptopyl, methionyl, aspartyl and phenylalaninamide residues in sequence. Found in the skins of certain Australian amphibians, it is an analogue of the gastrointestinal peptide hormone cholecystokinin and stimulates gastric, biliary, and pancreatic secretion. It is used in cases of paralysis of the intestine (paralytic ileus) and as a diagnostic aid in pancreatic malfunction. | 2.96 | 4 | 0 | oligopeptide | diagnostic agent; gastrointestinal drug |
| gramicidin a Gramicidin: A group of peptide antibiotics from BACILLUS brevis. Gramicidin C or S is a cyclic, ten-amino acid polypeptide and gramicidins A, B, D are linear. Gramicidin is one of the two principal components of TYROTHRICIN. | 2.68 | 3 | 0 | ||
| glucagon Glucagon: A 29-amino acid pancreatic peptide derived from proglucagon which is also the precursor of intestinal GLUCAGON-LIKE PEPTIDES. Glucagon is secreted by PANCREATIC ALPHA CELLS and plays an important role in regulation of BLOOD GLUCOSE concentration, ketone metabolism, and several other biochemical and physiological processes. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p1511). glucagon : A 29-amino acid peptide hormone consisting of His, Ser, Gln, Gly, Thr, Phe, Thr, Ser, Asp, Tyr, Ser, Lys, Tyr, Leu, Asp, Ser, Arg, Arg, Ala, Gln, Asp, Phe, Val, Gln, Trp, Leu, Met, Asn and Thr residues joined in sequence. | 3.47 | 2 | 0 | peptide hormone | |
| cucurbit(8)uril cucurbit(8)uril: a macrocyclic polymer compound comprising 8 GLYCOLURIL units with methylene bridges | 2.17 | 1 | 0 | ||
| tannins Tannins: Polyphenolic compounds with molecular weights of around 500-3000 daltons and containing enough hydroxyl groups (1-2 per 100 MW) for effective cross linking of other compounds (ASTRINGENTS). The two main types are HYDROLYZABLE TANNINS and CONDENSED TANNINS. Historically, the term has applied to many compounds and plant extracts able to render skin COLLAGEN impervious to degradation. The word tannin derives from the Celtic word for OAK TREE which was used for leather processing. | 1.95 | 1 | 0 | ||
| oligonucleotides [no description available] | 3.11 | 5 | 0 | ||
| anticodon Anticodon: The sequential set of three nucleotides in TRANSFER RNA that interacts with its complement in MESSENGER RNA, the CODON, during translation in the ribosome. | 2.11 | 1 | 0 | ||
| complestatin complestatin: compound extracted from Streptomyces lavendulae mycelia; on acid hydrolysis yields D-4-hydroxyphenylglycine & D-3,5-dichloro-4-hydroxyphenylglycine & acidic chromophore; inhibits gp120-CD4 binding. isocomplestatin : A heterodetic cyclic peptide which is a atropisomer of complestatin. It is isolated from the culture broth of Streptomyces and has anti-HIV-1 activity.. chloropeptin II : A heterodetic cyclic peptide consisting of N-acylated trytophan, 3,5-dichloro-4-hydroxyphenylglycine, 4-hydroxyphenylglycine, 3,5-dichloro-4-hydroxyphenylglycyl, tyrosine and 4-hydroxyphenylglycine residues joined in sequence and in which the side-chain of the central 4-hydroxyphenylglycine residue is attached to the side-chain of the tryptophan via a C3-C6 bond and to the side-chain of the tyrosine via an ether bond from C5. It is isolated from the culture broth of Streptomyces and has anti-HIV-1 activity. | 2.05 | 1 | 0 | cyclic ether; heterodetic cyclic peptide; indoles; organic heterobicyclic compound; organochlorine compound; peptide antibiotic; polyphenol | anti-HIV-1 agent; antimicrobial agent; HIV-1 integrase inhibitor; metabolite |
| cellulose DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications. | 4.4 | 20 | 0 | glycoside | |
| perovskite calcium titanate : A calcium salt with the formula CaTiO3, generally obtained in the form of the mineral perovskite. | 2.41 | 1 | 0 | ||
| endothelin-1 Endothelin-1: A 21-amino acid peptide produced in a variety of tissues including endothelial and vascular smooth-muscle cells, neurons and astrocytes in the central nervous system, and endometrial cells. It acts as a modulator of vasomotor tone, cell proliferation, and hormone production. (N Eng J Med 1995;333(6):356-63) | 2 | 1 | 0 | ||
| phosphatidylcholines Phosphatidylcholines: Derivatives of PHOSPHATIDIC ACIDS in which the phosphoric acid is bound in ester linkage to a CHOLINE moiety. | 4.82 | 34 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
| cufe2o4 [no description available] | 2.1 | 1 | 0 | ||
| depudecin depudecin: structure given in first source; isolated from the fungus Alternaria brassicicola. depudecin : A polyketide obtained from the fungus Alternaria brassicicola and having a highly unusual structure of an 11-carbon chain containing two epoxides and six stereogenic centres. It is an inhibitor of histone deacetylase (HDAC) both in vivo and in vitro and also exhibits anti-angiogenic activity. | 2.11 | 1 | 0 | polyketide | EC 3.5.1.98 (histone deacetylase) inhibitor; fungal metabolite |
| oxonol vi oxonol VI: structure given in first source; see also oxonol dyes (isoxazole) | 1.96 | 1 | 0 | ||
| chlorophyll a Chlorophyll: Porphyrin derivatives containing magnesium that act to convert light energy in photosynthetic organisms.. chlorophyll : A family of magnesium porphyrins, defined by the presence of a fifth ring beyond the four pyrrole-like rings. The rings can have various side chains which usually include a long phytol chain. | 3.36 | 7 | 0 | chlorophyll; methyl ester | cofactor |
| archazolid a archazolid A: inhibits vacuolar-type ATPase; isolated from Archangium gephyra; structure in first source | 3.55 | 2 | 0 | ||
| bi(otf)3 Bi(OTf)3: structure in first source | 2.47 | 2 | 0 | ||
| pyranonigrin a pyranonigrin A: structure in first source. pyranonigrin A : A member of the class of pyranopyrroles that is 2-[(1E)-prop-1-en-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione carrying two additional hydroxy substituents at positions 3 and 7. Originally isolated from Aspergillus niger. | 2.11 | 1 | 0 | cyclic ketone; enol; gamma-lactam; pyranopyrrole; secondary alcohol | antioxidant; Aspergillus metabolite; marine metabolite |
| phthioceranic acid phthioceranic acid: a heptamethyl-branched acid from Mycobacterium tuberculosis; structure in first source | 2.11 | 1 | 0 | ||
| archazolid b archazolid B: structure in first source | 2.04 | 1 | 0 | macrolide | |
| 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. | 4.04 | 15 | 0 | ||
| palmerolide a palmerolide A: isolated from the antarctic marine tunicate Synoicum adareanum; structure in first source | 7.47 | 2 | 0 | ||
| elaiomycin elaiomycin: naturally occurring azoxyalkene; RN given refers to cpd without isomeric designation; structure | 1.95 | 1 | 0 | ||
| sodium cyanoborohydride sodium cyanoborohydride: reagent for preparing biologically active nitroxides | 2.1 | 1 | 0 | ||
| sapogenins Sapogenins: The aglucon moiety of a saponin molecule. It may be triterpenoid or steroid, usually spirostan, in nature. | 2.01 | 1 | 0 | ||
| n-acetyl-s-pentachloro-1,3-butadienylcysteine N-acetyl-S-pentachloro-1,3-butadienylcysteine: RN given refers to (L)-isomer; structure given in first source | 1.97 | 1 | 0 | ||
| 1,2,4-trioxane 1,2,4-trioxane: structure in first source | 3.32 | 6 | 0 | ||
| pyrazolopyridine pyrazolopyridine: act as competitive antagonists of brain adenosine A1 receptors | 2.06 | 1 | 0 | ||
| amphidinolide b amphidinolide B1: from Amphidinium sp.; structure in first source | 2.02 | 1 | 0 | ||
| chitosan [no description available] | 3.22 | 5 | 0 | ||
| 9-borabicyclononane 9-borabicyclononane: an amino acid protecting group | 2.04 | 1 | 0 | ||
| mannopentaose mannopentaose: 5 mannose residues having 1,2-linkages. mannopentaose : Any pentasaccharide composed of 5 mannose moieties. | 2.07 | 1 | 0 | ||
| stagonolide stagonolide: nonenolide produced by Stagonospora cirsii (fungi, Ascomycota), a potential mycoherbicide of Cirsium arvense (Asteraceae); structure in first source | 2.04 | 1 | 0 | ||
| mesna Mesna: A sulfhydryl compound used to prevent urothelial toxicity by inactivating metabolites from ANTINEOPLASTIC AGENTS, such as IFOSFAMIDE or CYCLOPHOSPHAMIDE. | 5.01 | 7 | 0 | organosulfonic acid | |
| tert-butoxide, potassium [no description available] | 2.74 | 3 | 0 | ||
| lithium perchlorate lithium perchlorate: stabilizes DNA-polycation complex; RN given refers to parent compound | 2.42 | 2 | 0 | ||
| sodium hypochlorite Sodium Hypochlorite: It is used as an oxidizing and bleaching agent and as a disinfectant. (From Grant & Hackh's Chemical Dictionary, 5th ed). sodium hypochlorite : An inorganic sodium salt in which hypochlorite is the counterion. It is used as a bleaching and disinfecting agent and is commonly found in household bleach. | 2.01 | 1 | 0 | inorganic sodium salt | bleaching agent; disinfectant |
| stearates Stearates: Salts and esters of the 18-carbon saturated, monocarboxylic acid--stearic acid. | 2.55 | 2 | 0 | ||
| sodium iodate sodium iodate: RN given refers to iodic acid, Na salt | 2.02 | 1 | 0 | organic molecular entity | |
| merocyanine dye merocyanine dye: fluorescent dye used for studying axons 2 position on pyrimidine ring may be S or O; RN given refers to Na salt; structure | 1.95 | 1 | 0 | ||
| sodium ethylxanthate Sex: The totality of characteristics of reproductive structure, functions, PHENOTYPE, and GENOTYPE, differentiating the MALE from the FEMALE organism. | 2.35 | 2 | 0 | ||
| sodium trifluoromethanesulfinate [no description available] | 2.51 | 2 | 0 | ||
| chiniofon Hydroxyquinolines: The 8-hydroxy derivatives inhibit various enzymes and their halogenated derivatives, though neurotoxic, are used as topical anti-infective agents, among other uses. | 4.16 | 5 | 0 | ||
| arginine Teniposide: A semisynthetic derivative of PODOPHYLLOTOXIN that exhibits antitumor activity. Teniposide inhibits DNA synthesis by forming a complex with topoisomerase II and DNA. This complex induces breaks in double stranded DNA and prevents repair by topoisomerase II binding. Accumulated breaks in DNA prevent cells from entering into the mitotic phase of the cell cycle, and lead to cell death. Teniposide acts primarily in the G2 and S phases of the cycle.. teniposide : A furonaphthodioxole that is a synthetic derivative of podophyllotoxin with anti-tumour activity; causes single- and double-stranded breaks in DNA and DNA-protein cross-links and prevents repair by topoisomerase II binding. | 4.28 | 4 | 1 | ||
| olaparib [no description available] | 2.1 | 1 | 0 | cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines | antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| gelsemine gelsemine: from Gelsemium sempervirens; structure given in first source | 2.01 | 1 | 0 | indole alkaloid | |
| spirastrellolide f methyl ester spirastrellolide F methyl ester: structure in first source | 2.31 | 1 | 0 | ||
| methyl jasmonate [no description available] | 3.46 | 7 | 0 | ||
| largazole largazole: an antiproliferative agent from Symploca; structure in first source | 2.59 | 2 | 0 | ||
| s-adenosylmethionine (R)-S-adenosyl-L-methionine : An S-adenosyl-L-methionine that has R-configuration.. S-adenosyl-L-methionine zwitterion : A zwitterionic tautomer of S-adenosyl-L-methionine arising from shift of the proton from the carboxy group to the amino group.. (R)-S-adenosyl-L-methionine zwitterion : An S-adenosyl-L-methionine zwitterion that has R-configuration; major species at pH 7.3.. (S)-S-adenosyl-L-methionine zwitterion : An S-adenosyl-L-methionine zwitterion that has S-configuration; major species at pH 7.3.. S-adenosyl-L-methionine : A sulfonium compound that is the S-adenosyl derivative of L-methionine. It is an intermediate in the metabolic pathway of methionine. | 4.3 | 5 | 0 | organic cation; sulfonium compound | coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
| aspergillide b aspergillide B: cytotoxic 14-membered macrolide from marine-derived fungus Aspergillus ostianus strain 01F313; structure in first source. aspergillide B : A macrolide that is 4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one substituted by a hydroxy group at position 14 and a methyl group at position 5 (the 1S,5S,9E,11R,14S stereoisomer). It is isolated from the marine-derived fungus Aspergillus ostianus and exhibits cytotoxic activity against mouse lymphocytic leukemia cells (L1210). | 3.16 | 1 | 0 | bridged compound; cyclic ether; macrolide; secondary alcohol | antineoplastic agent; Aspergillus metabolite |
| uridine diphosphate n-acetylmuramic acid Uridine Diphosphate N-Acetylmuramic Acid: A nucleoside diphosphate sugar which is formed from UDP-N-acetylglucosamine and phosphoenolpyruvate. It serves as the building block upon which peptidoglycan is formed.. UDP-N-acetyl-alpha-D-muramate(3-) : A UDP-N-acetyl-D-muramate(3-) in which the anomeric centre of the pyranose fragment has alpha-configuration. | 2.03 | 1 | 0 | UDP-N-acetylmuramate(3-) | |
| gdc 0449 HhAntag691: inhibits the hedgehog pathway and ABC transporters; has antineoplastic activity | 2.11 | 1 | 0 | benzamides; monochlorobenzenes; pyridines; sulfone | antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent |
| incednine incednine: modulates Bcl-xL; structure in first source | 2.08 | 1 | 0 | ||
| cycloclavine cycloclavine: isolated from the seeds of the African morning glory (Ipomea hildebrandtii): structure in first source | 2.17 | 1 | 0 | ||
| ethyl cellulose [no description available] | 2.1 | 1 | 0 | glycoside | |
| 10-nitro-oleic acid 10-nitro-oleic acid: structure in first source. (9E)-10-nitrooctadecenoic acid : A nitro fatty acid that is (9E)-octadec-9-enoic (elaidic) acid substituted by a nitro group at position 10. | 2.05 | 1 | 0 | long-chain fatty acid; monounsaturated fatty acid; nitro fatty acid | human metabolite |
| mb 5 malbrancheamide B: from the culture medium and mycelia of the ascomycete Malbranchea aurantiaca; structure in first source | 2.07 | 1 | 0 | ||
| albiflorin albiflorin: glucoside in peony roots. albiflorin : A monoterpene glycoside with formula C23H28O11, originally isolated from the roots of Paeonia lactiflora. | 2.08 | 1 | 0 | benzoate ester; beta-D-glucoside; bridged compound; gamma-lactone; monoterpene glycoside; secondary alcohol | neuroprotective agent; plant metabolite |
| antroquinonol d antroquinonol: isolated from Antrodia camphorata. antroquinonol : An enone that is cyclohex-2-en-1-one substituted by a hydroxy group at position 4, methoxy groups at positions 2 and 3, a methyl group at position 6 and a (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl group at position 5 (the 4R,5R,6R stereoisomer). It is isolated from the solid-state fermented mycelium of the fungus Antrodia camphorata and has been found to exhibit potent cytotoxicity against a number of human cancer cell lines. However, a synthesis-enabled biological re-examination published in 2016, revealed minimal in vitro and in vivo antitumour activity in preclinical models. | 2.11 | 1 | 0 | enol ether; enone; secondary alcohol | antineoplastic agent; fungal metabolite |
| egg white Egg White: The white of an egg, especially a chicken's egg, used in cooking. It contains albumin. (Random House Unabridged Dictionary, 2d ed) | 1.94 | 1 | 0 | ||
| belactosin a belactosin A: isolated from Streptomyces; structure in first source | 2.08 | 1 | 0 | ||
| 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene [no description available] | 3.65 | 8 | 0 | BODIPY compound | |
| chondramide c chondramide C: a cytostatic cyclodepsipeptide; isolated from Chondromyces crocatus; structure given in first source. chondramide C : A chondramide formally obtained from N-[(2S,4E,6R,7R)-7-hydroxy-2,4,6-trimethyloct-4-enoyl]-L-alanyl-Nalpha-methyl-D-tryptophanyl-beta-R-beta-tyrosine by intramolecular condensation of the alcoholic hydroxy group with the carboxy group of the beta-tyrosine residue. It is produced by strains of the myxobacterium, Chondromyces crocatus. | 2 | 1 | 0 | chondramide; indoles; phenols | antineoplastic agent; bacterial metabolite |
| etnangien etnangien: a macrolide-polyene antibiotic from Sorangium cellulosum that inhibits nucleic acid polymerases; structure in first source. etnangien : A macrolide antibiotic isolated from the culture broth of the myxobacterium Sorangium cellulosum and has been found to be active against Gram-positive bacteria. | 7.48 | 2 | 0 | hydroxy monocarboxylic acid; macrolide antibiotic | antibacterial agent; metabolite |
| mannans [no description available] | 2.15 | 1 | 0 | ||
| alexa fluor 546 Alexa fluor 546: a fluorescent dye | 2.07 | 1 | 0 | organic heteropentacyclic compound | fluorochrome |
| leptomycin a [no description available] | 2.04 | 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. | 2.91 | 4 | 0 | ||
| (5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol (5-(2,4-bis((3S)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol: a potent, selective, and orally bioavailable ATP-competitive mammalian target of rapamycin kinase inhibitor with in vitro and in vivo antitumor activity; structure in first source | 2.11 | 1 | 0 | benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound | antineoplastic agent; apoptosis inducer; mTOR inhibitor |
| plx4032 [no description available] | 2.11 | 1 | 0 | aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor |
| spirolide d spirolide D: structure in first source | 2.02 | 1 | 0 | azepine | |
| cuspareine cuspareine: from Galipea officinalis; structure in first source | 2.06 | 1 | 0 | ||
| daphenylline daphenylline: an alkaloid with an unusual skeleton from Daphniphyllum longeracemosum; structure in first source | 2.49 | 2 | 0 | ||
| cytochromes c1 Cytochromes c1: The 30-kDa membrane-bound c-type cytochrome protein of mitochondria that functions as an electron donor to CYTOCHROME C GROUP in the mitochondrial and bacterial RESPIRATORY CHAIN. (From Enzyme Nomenclature, 1992, p545) | 1.96 | 1 | 0 | ||
| urushiol [no description available] | 2.34 | 2 | 0 | ||
| glycolipids [no description available] | 5.03 | 13 | 0 | ||
| beta-sultam beta-sultam: structure in first source | 2.49 | 2 | 0 | ||
| piperidines Piperidines: A family of hexahydropyridines. | 9.39 | 88 | 2 | ||
| bryostatin 1 bryostatin 1: a protein kinase C activator; macrocyclic lactone from marine Bryozoan Bugula neritina; RN given refers to (1S*-(1R*,3R*,5Z,7S*,8E,11R*,12R*(2E,4E),13E,15R*,17S*(S*),21S*,23S*,25R*))-isomer; structure given in first source; activates protein kinase c. bryostatin 1 : A member of the class of bryostatins that is (17E)-2-oxooxacyclohexacos-17-ene which is substituted by hydroxy groups at positions 4, 10, and 20; an acetoxy group at position 8; methyl groups at positions 9, 9, 18, and 19; 2-methoxy-2-oxoethylidene groups at positions 14 and 24; an (E,E)-octa-2,4-dienoyloxy group at position 21; and with oxygen bridges linking positions 6 to 10, 12 to 16, and 20 to 24. It is one of the most abundant member of the class of bryostatins. | 2.94 | 4 | 0 | ||
| interleukin-8 Interleukin-8: A member of the CXC chemokine family that plays a role in the regulation of the acute inflammatory response. It is secreted by variety of cell types and induces CHEMOTAXIS of NEUTROPHILS and other inflammatory cells. | 2.78 | 3 | 0 | ||
| dorrigocin a dorrigocin A: isolated from the fermentation broth & mycelium of Streptomyces platensis; structure given in first source | 2.04 | 1 | 0 | ||
| sordarin sordarin: antifungal mold metabolite of Sordaria araneosa; sordarins A and B are stereoisomers. sordarin : An antifungal metabolite of Sordaria araneosa that inhibits protein synthesis. It has a tetracyclic diterpene glycoside structure. | 2.21 | 1 | 0 | ||
| gelsemoxonine gelsemoxonine: isolated from Gelsemium elegans Benth; structure in first source | 2.31 | 1 | 0 | ||
| bisvertinolone bisvertinolone: structure in first source | 2.78 | 3 | 0 | ||
| grazoprevir grazoprevir: has antiviral activity; component of Zepatier. grazoprevir : An azamacrocyclic compound that is a hepatitis C protease inhibitor used in combination with elbasvir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults. | 2.21 | 1 | 0 | aromatic ether; azamacrocycle; carbamate ester; cyclopropanes; lactam; N-sulfonylcarboxamide; quinoxaline derivative | antiviral drug; hepatitis C protease inhibitor; hepatoprotective agent |
| spirolide b spirolide B: structure in first source | 2.02 | 1 | 0 | ||
| aigialomycin d aigialomycin D: from the marine mangrove fungus Aigialus parvus; structure in first source | 2.74 | 3 | 0 | macrolide | |
| pemetrexed theonellamide A: from Theonella marine sponges; structure in first source | 2.15 | 1 | 0 | ||
| nhatrangin a nhatrangin A: structure in first source | 2.08 | 1 | 0 | ||
| chondramide a chondramide A: from Chondromyces crocatus and Toxoplasma gondii; structure in first source. chondramide A : A chondramide that is chondramide C in which the pro-S hydrogen at position 2 of the beta-tyrosine residue is replaced by a methoxy group. It is produced by strains of the myxobacterium, Chondromyces crocatus. | 2 | 1 | 0 | chondramide; indoles; phenols | antineoplastic agent; bacterial metabolite |
| englerin a [no description available] | 3.27 | 1 | 0 | cinnamate ester; glycolate ester; guaiane sesquiterpenoid | antineoplastic agent; metabolite |
| amphidinol 3 amphidinol 3: structure in first source | 5.89 | 30 | 0 | ||
| diphthamide [no description available] | 2.13 | 1 | 0 | quaternary ammonium ion | |
| melectin melectin: isolated from the venom of the cleptoparasitic bee Melecta albifrons | 2.07 | 1 | 0 | ||
| gephyronic acid gephyronic acid: a highly substituted aliphatic acid with a keto group; shows a tendency to form an intramolecular hemiacetal; isolated from myxobacteria Archangium gephyra; structure given in first source | 2.52 | 2 | 0 | ||
| heme Heme: The color-furnishing portion of hemoglobin. It is found free in tissues and as the prosthetic group in many hemeproteins.. ferroheme : Any iron(II)--porphyrin coordination complex.. ferroheme b : Heme b in which the iron has oxidation state +2.. heme : A heme is any tetrapyrrolic chelate of iron. | 11.2 | 26 | 0 | ||
| 7,11-heptacosadiene [no description available] | 4.48 | 7 | 0 | ||
| chondroitin Chondroitin: A mucopolysaccharide constituent of chondrin. (Grant & Hackh's Chemical Dictionary, 5th ed) | 1.95 | 1 | 0 | ||
| norbornene anhydride [no description available] | 2.07 | 1 | 0 | ||
| crotylsilane crotylsilane: structure in first source | 2.45 | 2 | 0 | ||
| 1,4-bis(3-carboxy-4-hydroxyphenylethenyl)-benzene 1,4-bis(3-carboxy-4-hydroxyphenylethenyl)-benzene: structure in first source | 4.65 | 8 | 0 | ||
| 1,4-dihydroxy-2-nonene [no description available] | 5.1 | 10 | 1 | ||
| stubomycin stubomycin: contains polyene amide group; from Streptomyces | 2.02 | 1 | 0 | ||
| ascorbic acid Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms. | 10.61 | 18 | 1 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
| 4-hydroxy-6-methyl-2-pyrone 4-hydroxy-6-methyl-2-pyrone: structure in first source | 2.25 | 1 | 0 | 2-pyranones | |
| novobiocin Novobiocin: An antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189). novobiocin : A coumarin-derived antibiotic obtained from Streptomyces niveus. | 2.38 | 2 | 0 | carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols | antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent |
| minocycline Minocycline: A TETRACYCLINE analog, having a 7-dimethylamino and lacking the 5 methyl and hydroxyl groups, which is effective against tetracycline-resistant STAPHYLOCOCCUS infections.. minocycline : A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5. | 2.05 | 1 | 0 | ||
| salicylates Salicylates: The salts or esters of salicylic acids, or salicylate esters of an organic acid. Some of these have analgesic, antipyretic, and anti-inflammatory activities by inhibiting prostaglandin synthesis.. hydroxybenzoate : Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent.. salicylates : Any salt or ester arising from reaction of the carboxy group of salicylic acid, or any ester resulting from the condensation of the phenolic hydroxy group of salicylic acid with an organic acid.. salicylate : A monohydroxybenzoate that is the conjugate base of salicylic acid. | 5.26 | 16 | 0 | monohydroxybenzoate | plant metabolite |
| 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. | 6.33 | 29 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
| equisetin equisetin: antibiotic from Fusarium equiseti; derivative of N-methyl-2,4-pyrollidone with elemental composition C22-H31-N-O4; N1 same as NM. equisetin : A member of the class of tetramic acids that is trichosetin in which the hydrogen attached to the lactam nitrogen has been replaced by a methyl group. It is produced by the filamentous fungus Fusarium heterosporum. | 2.55 | 2 | 0 | enol; octahydronaphthalenes; primary alcohol; tetramic acids | antibacterial agent; fungal metabolite; HIV-1 integrase inhibitor; quorum sensing inhibitor |
| antimycin [no description available] | 2.66 | 3 | 0 | ||
| 4-hydroxycoumarin 2-hydroxychromone: structure | 7.08 | 1 | 0 | hydroxycoumarin | |
| deoxyfusapyrone deoxyfusapyrone: isolated from Fusarium semitectum; structure in first source | 2.01 | 1 | 0 | ||
| hispidin hispidin: metabolite of Basidiomycete Polyporus hispidus. hispidin : Fungal metabolite first found in basidiomycete Inonotus hispidus (formerly Polyporus hispidus). | 2.01 | 1 | 0 | 2-pyranones; catechols | antioxidant; EC 2.7.11.13 (protein kinase C) inhibitor; fungal metabolite |
| 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. | 2.48 | 2 | 0 | ||
| subglutinol a subglutinol A: an osteogenic agent isolated from Fusarium subglutinans; structure in first source | 3.41 | 1 | 0 | ||
| tirandamycin a tirandamycin A: antibiotic related to streptolydigin | 3.27 | 1 | 0 | oxacycle | |
| tirandalydigin tirandalydigin: structure given in first source; isolated from Streptomyces strain AB 1006A-9 | 3.27 | 1 | 0 | ||
| tirandamycin b tirandamycin B: antibiotic related to streptolydigin | 3.27 | 1 | 0 | ||
| epidermal growth factor Epidermal Growth Factor: A 6-kDa polypeptide growth factor initially discovered in mouse submaxillary glands. Human epidermal growth factor was originally isolated from urine based on its ability to inhibit gastric secretion and called urogastrone. Epidermal growth factor exerts a wide variety of biological effects including the promotion of proliferation and differentiation of mesenchymal and EPITHELIAL CELLS. It is synthesized as a transmembrane protein which can be cleaved to release a soluble active form. | 2.11 | 1 | 0 | ||
| microcystin microcystin: microcystins have the general structure cyclo(D-Ala-L-X-D-erythro--methylisoasp-L-Y-Adda-D-isoGlu-N-methyldehydroAla) where X and Y are variable L-amino acids;. microcystin : A family of cyclic heptapeptide hepatotoxins produced by a number of cyanobacteria, the most notable of which is Microcystis, from which the name of the family is derived. Microcystins consist of a heptapeptide macrocycle made up of five non-protein amino acids and two protein amino acids. | 3.79 | 3 | 0 | peptide | |
| clay Clay: A naturally-occurring rock or soil constituent characterized by particles with a diameter of less than 0.005 mm. It is composed primarily of hydrous aluminum silicates, trace amounts of metal OXIDES, and organic matter. | 2.79 | 3 | 0 | ||
| lead radioisotopes Lead Radioisotopes: Unstable isotopes of lead that decay or disintegrate emitting radiation. Pb atoms with atomic weights 194-203, 205, and 209-214 are radioactive lead isotopes. | 1.98 | 1 | 0 | ||
| staphyloxanthin staphyloxanthin: Staph aureus pigment; glucose esterified with both a triterpenoid carotenoid carboxylic acid & a C15 fatty acid. staphyloxanthin : A xanthophyll that is beta-D-glucopyranose in which the hydroxy groups at positions 1 and 6 have been acylated by an all-trans-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoyl group and a 12-methyltetradecanoyl group, respectively. Staphyloxanthin is responsible for the characteristic yellow-golden colour which gives the bacterium Staphylococcus aureus its name. | 2.07 | 1 | 0 | apo carotenoid triterpenoid; D-aldohexose derivative; fatty acid ester; triol; xanthophyll | antioxidant; biological pigment; metabolite; virulence factor |
| saxitoxin Saxitoxin: A compound that contains a reduced purine ring system but is not biosynthetically related to the purine alkaloids. It is a poison found in certain edible mollusks at certain times; elaborated by GONYAULAX and consumed by mollusks, fishes, etc. without ill effects. It is neurotoxic and causes RESPIRATORY PARALYSIS and other effects in MAMMALS, known as paralytic SHELLFISH poisoning.. saxitoxin : An alkaloid isolated from the marine dinoflagellates and cyanobacteria that causes paralytic shellfish poisoning. | 2.03 | 1 | 0 | alkaloid; carbamate ester; guanidines; ketone hydrate; paralytic shellfish toxin; pyrrolopurine | cyanotoxin; marine metabolite; neurotoxin; sodium channel blocker; toxin |
| okadaic acid Okadaic Acid: A specific inhibitor of phosphoserine/threonine protein phosphatase 1 and 2a. It is also a potent tumor promoter. It is produced by DINOFLAGELLATES and causes diarrhetic SHELLFISH POISONING.. okadaic acid : A polycyclic ether that is produced by several species of dinoflagellates, and is known to accumulate in both marine sponges and shellfish. A polyketide, polyether derivative of a C38 fatty acid, it is one of the primary causes of diarrhetic shellfish poisoning (DSP). It is a potent inhibitor of specific protein phosphatases and is known to have a variety of negative effects on cells. | 5.92 | 19 | 0 | ketal | |
| brine brine: not from seawater; contains sodium chloride; calcium chloride; magnesium chloride; one or all of the above | 2.06 | 1 | 0 | ||
| palmyrolide a palmyrolide A: neuroactive marine macrolide; structure in first source | 2.1 | 1 | 0 | ||
| pyrethrins [no description available] | 2.66 | 3 | 0 | ||
| merrifield resin Merrifield resin: used as support for solid phase synthesis of thiol-terminated peptides | 2.13 | 1 | 0 | ||
| aquacobalamin [no description available] | 2.44 | 2 | 0 | ||
| aspergillide a aspergillide A: cytotoxic 14-membered macrolide from marine-derived fungus Aspergillus ostianus strain 01F313; structure in first source. aspergillide A : A macrolide that is 4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one substituted by a hydroxy group at position 14 and a methyl group at position 5 (the 1R,5S,9E,11R,14S stereoisomer). It is isolated from the marine-derived fungus Aspergillus ostianus and exhibits cytotoxic activity against mouse lymphocytic leukemia cells (L1210). | 3.16 | 1 | 0 | bridged compound; cyclic ether; macrolide; secondary alcohol | antineoplastic agent; Aspergillus metabolite |
| bms 182123 trichodimerol: fungal metabolite isolated from Penicillium chrysogenum; structure in first source. trichodimerol : An organic heterotetracyclic compound found in Trichoderma longibrachiatum and Penicillium chrysogenum. | 2.21 | 1 | 0 | ||
| didehydrostemofoline didehydrostemofoline: structure in first source | 2.05 | 1 | 0 | ||
| myriaporone 3 myriaporone 3: structure in first source. myriaporone 3 : A member of the class of oxanes isolated from the Mediterranean bryozoan Myriapora truncata and has been shown to exhibit inhibitory activity against murine leukemia cells. | 2.71 | 3 | 0 | beta-hydroxy ketone; epoxide; lactol; oxanes; primary alcohol; secondary alcohol | antineoplastic agent; metabolite |
| gracilioether f gracilioether F: structure in first source | 2.1 | 1 | 0 | ||
| leiodermatolide leiodermatolide: an antimitotic agent isolated from the marine sponge Leiodermatium; structure in first source | 2.15 | 1 | 0 | ||
| agar Agar: A complex sulfated polymer of galactose units, extracted from Gelidium cartilagineum, Gracilaria confervoides, and related red algae. It is used as a gel in the preparation of solid culture media for microorganisms, as a bulk laxative, in making emulsions, and as a supporting medium for immunodiffusion and immunoelectrophoresis.. agar : A complex mixture of polysaccharides extracted from species of red algae. Its two main components are agarose and agaropectin. Agarose is the component responsible for the high-strength gelling properties of agar, while agaropectin provides the viscous properties. | 1.94 | 1 | 0 | ||
| mycalolide b mycalolide B: structure given in first source; isolated from the marine sponge Mycale | 2.11 | 1 | 0 | ||
| cyclin d1 Cyclin D1: Protein encoded by the bcl-1 gene which plays a critical role in regulating the cell cycle. Overexpression of cyclin D1 is the result of bcl-1 rearrangement, a t(11;14) translocation, and is implicated in various neoplasms. | 2.04 | 1 | 0 | ||
| contraceptives, postcoital Contraceptives, Postcoital: Contraceptive substances to be used after COITUS. These agents include high doses of estrogenic drugs; progesterone-receptor blockers; ANTIMETABOLITES; ALKALOIDS, and PROSTAGLANDINS. | 1.95 | 1 | 0 | ||
| alcohol oxidase [no description available] | 2.06 | 1 | 0 | ||
| caseins Caseins: A mixture of related phosphoproteins occurring in milk and cheese. The group is characterized as one of the most nutritive milk proteins, containing all of the common amino acids and rich in the essential ones. | 2.37 | 2 | 0 | ||
| oligomycins Oligomycins: A closely related group of toxic substances elaborated by various strains of Streptomyces. They are 26-membered macrolides with lactone moieties and double bonds and inhibit various ATPases, causing uncoupling of phosphorylation from mitochondrial respiration. Used as tools in cytochemistry. Some specific oligomycins are RUTAMYCIN, peliomycin, and botrycidin (formerly venturicidin X). | 1.95 | 1 | 0 | ||
| phthalocyanine phthalocyanine : A tetrapyrrole fundamental parent that consists of four isoindole-type units, with the connecting carbon atoms in the macrocycle replaced by nitrogen. | 3.88 | 3 | 0 | phthalocyanines; tetrapyrrole fundamental parent | |
| tetraphenylporphine tetraphenylporphyrin: structure in first source | 2.45 | 2 | 0 | ||
| nitrophenols Nitrophenols: PHENOLS carrying nitro group substituents. | 2.67 | 3 | 0 | ||
| pladienolide b pladienolide B: structure in first source | 2.04 | 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. | 3.35 | 1 | 0 | ||
| ly2409021 adomeglivant: a glucagon receptor antagonist | 2.11 | 1 | 0 | ||
| lithospermic acid lithospermic acid: isolated from Lithospermum ruderale | 2.79 | 3 | 0 | ||
| diospyros Diospyros: A plant genus of the family EBENACEAE, order Ebenales, subclass Dilleniidae, class Magnoliopsida best known for the edible fruit and the antibacterial activity and compounds of the wood. | 2.13 | 1 | 0 | ||
| gibberellins [no description available] | 2.58 | 2 | 0 | ||
| sorbicillinol sorbicillinol: structure in first source | 2.25 | 1 | 0 | ||
| mycolactone b mycolactone B: from Mycobacterium ulcerans; structure in first source | 2.73 | 3 | 0 | ||
| tetramycin [no description available] | 1.94 | 1 | 0 | ||
| peoniflorin peoniflorin: from Radix and of Paeonia suffruticosa | 2.08 | 1 | 0 | ||
| vitamin b 12 Vitamin B 12: A cobalt-containing coordination compound produced by intestinal micro-organisms and found also in soil and water. Higher plants do not concentrate vitamin B 12 from the soil and so are a poor source of the substance as compared with animal tissues. INTRINSIC FACTOR is important for the assimilation of vitamin B 12. | 4.26 | 5 | 0 | ||
| aconitine Aconitine: A C19 norditerpenoid alkaloid (DITERPENES) from the root of ACONITUM; DELPHINIUM and larkspurs. It activates VOLTAGE-GATED SODIUM CHANNELS. It has been used to induce ARRHYTHMIAS in experimental animals and it has anti-inflammatory and anti-neuralgic properties.. aconitine : A diterpenoid that is 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diol having acetate and benzoate groups at the 8- and 14-positions respectively. | 2.01 | 1 | 0 | ||
| cyclosporine Cyclosporine: A cyclic undecapeptide from an extract of soil fungi. It is a powerful immunosupressant with a specific action on T-lymphocytes. It is used for the prophylaxis of graft rejection in organ and tissue transplantation. (From Martindale, The Extra Pharmacopoeia, 30th ed). | 4.03 | 4 | 0 | ||
| flavin mononucleotide Flavin Mononucleotide: A coenzyme for a number of oxidative enzymes including NADH DEHYDROGENASE. It is the principal form in which RIBOFLAVIN is found in cells and tissues. | 3.36 | 7 | 0 | ||
| siomycin a siomycin A: see also records for siomycin & siomycin D1 | 2.04 | 1 | 0 | ||
| tetrapropylammonium perruthenate tetrapropylammonium perruthenate: a catalytic oxidant used in conjunction with N-methylmorpholine N-oxide for oxidation of primary & secondary alcohols to aldehydes and ketones. tetrapropylammonium perruthenate : A quaternary ammonium salt having tetrapropylammonium as the cation and perruthenate as the anion. | 3.58 | 2 | 0 | ||
| crambin protein, crambe abyssinica crambin protein, Crambe abyssinica: 44 amino acid, molecular weight 5000, water-insoluble protein found in the seed of the plant Crambe abyssinica | 1.99 | 1 | 0 | ||
| digitonin Digitonin: A glycoside obtained from Digitalis purpurea; the aglycone is digitogenin which is bound to five sugars. Digitonin solubilizes lipids, especially in membranes and is used as a tool in cellular biochemistry, and reagent for precipitating cholesterol. It has no cardiac effects.. digitonin : A spirostanyl glycoside that is digitogenin in which the 3-hydroxy group is substituted by a beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranosyl group. It is a steroidal saponin isolated from the foxglove plant, Digitalis purpurea. It is used extensively as a mild non-ionic detergent for extracting proteins from membranes for structure and function studies. | 1.95 | 1 | 0 | ||
| phenanthroindolizidine phenanthroindolizidine: structure in first source | 2.06 | 1 | 0 | ||
| didemniserinolipid b didemniserinolipid B: a serinol marine natural product from a tunicate Didemnum sp.; structure in first source | 2.04 | 1 | 0 | ||
| beta-isocupreidine beta-isocupreidine: structure in first source | 2.05 | 1 | 0 | ||
| orabase Orabase: used in therapy of oral mucosal ulcers | 2.47 | 2 | 0 | ||
| thromboplastin Thromboplastin: Constituent composed of protein and phospholipid that is widely distributed in many tissues. It serves as a cofactor with factor VIIa to activate factor X in the extrinsic pathway of blood coagulation. | 1.94 | 1 | 0 | ||
| muramidase Muramidase: A basic enzyme that is present in saliva, tears, egg white, and many animal fluids. It functions as an antibacterial agent. The enzyme catalyzes the hydrolysis of 1,4-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrin. EC 3.2.1.17. | 3.71 | 10 | 0 | ||
| ansamitocins ansamitocins: maytansinoid antibiotics produced by an actinomycete strain Norcardia sp. No. C-15003 (N-1); P-1 & P-2 identified with maytanacine & maytansinol propionate, respectively; structures for ansamitocins P-0, P-1, P-2, P-3, P-3', P-4 in second source | 2.05 | 1 | 0 | ||
| amyloid beta-peptides amyloid beta-protein (1-40): although acutely neurotoxic in both rat & monkey cerebral cortex, neuronal degeneration in primates resembles more closely to that found in Alzheimer's disease; amino acid sequence has been determined | 3.14 | 5 | 0 | ||
| exudates Malaysia: A parliamentary democracy with a constitutional monarch in southeast Asia, consisting of 11 states (West Malaysia) on the Malay Peninsula and two states (East Malaysia) on the island of BORNEO. It is also called the Federation of Malaysia. Its capital is Kuala Lumpur. Before 1963 it was the Union of Malaya. It reorganized in 1948 as the Federation of Malaya, becoming independent from British Malaya in 1957 and becoming Malaysia in 1963 as a federation of Malaya, Sabah, Sarawak, and Singapore (which seceded in 1965). The form Malay- probably derives from the Tamil malay, mountain, with reference to its geography. (From Webster's New Geographical Dictionary, 1988, p715 & Room, Brewer's Dictionary of Names, 1992, p329) | 2.11 | 1 | 0 | ||
| tautomycin tautomycin: an inhibitor of protein phosphatases 1 and 2A; isolated from Streptomyces spiroverticillatus; MF: C42-H70-O12; exists as a tautomeric mixture in solution | 4.53 | 4 | 0 | ||
| lupane lupane: has antineoplastic activity; structure in first source | 2.07 | 1 | 0 | ||
| cyclic gmp Cyclic GMP: Guanosine cyclic 3',5'-(hydrogen phosphate). A guanine nucleotide containing one phosphate group which is esterified to the sugar moiety in both the 3'- and 5'-positions. It is a cellular regulatory agent and has been described as a second messenger. Its levels increase in response to a variety of hormones, including acetylcholine, insulin, and oxytocin and it has been found to activate specific protein kinases. (From Merck Index, 11th ed). 3',5'-cyclic GMP : A 3',5'-cyclic purine nucleotide in which the purine nucleobase is specified as guanidine. | 2.44 | 2 | 0 | 3',5'-cyclic purine nucleotide; guanyl ribonucleotide | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
| deoxyguanosine [no description available] | 2.13 | 1 | 0 | purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| guanine [no description available] | 2.89 | 4 | 0 | 2-aminopurines; oxopurine; purine nucleobase | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| guanosine ribonucleoside : Any nucleoside where the sugar component is D-ribose. | 2 | 1 | 0 | guanosines; purines D-ribonucleoside | fundamental metabolite |
| inosinic acid Inosine Monophosphate: Inosine 5'-Monophosphate. A purine nucleotide which has hypoxanthine as the base and one phosphate group esterified to the sugar moiety. | 2.17 | 1 | 0 | inosine phosphate; purine ribonucleoside 5'-monophosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
| inosine [no description available] | 3.74 | 3 | 0 | inosines; purines D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae 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. | 2.66 | 3 | 0 | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
| viomycin [no description available] | 1.94 | 1 | 0 | heterodetic cyclic peptide; peptide antibiotic | antitubercular agent |
| guanosine 5'-o-(3-thiotriphosphate) Guanosine 5'-O-(3-Thiotriphosphate): Guanosine 5'-(trihydrogen diphosphate), monoanhydride with phosphorothioic acid. A stable GTP analog which enjoys a variety of physiological actions such as stimulation of guanine nucleotide-binding proteins, phosphoinositide hydrolysis, cyclic AMP accumulation, and activation of specific proto-oncogenes. | 2.42 | 2 | 0 | nucleoside triphosphate analogue | |
| pheophytin a pheophytin a: structure given in first source; RN given refers to (3S-(3alpha(2E,7S*,11S*),4beta,21beta))-isomer | 2.05 | 1 | 0 | ||
| rifampin Rifampin: A semisynthetic antibiotic produced from Streptomyces mediterranei. It has a broad antibacterial spectrum, including activity against several forms of Mycobacterium. In susceptible organisms it inhibits DNA-dependent RNA polymerase activity by forming a stable complex with the enzyme. It thus suppresses the initiation of RNA synthesis. Rifampin is bactericidal, and acts on both intracellular and extracellular organisms. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p1160) | 2.44 | 2 | 0 | cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion | angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor |
| clozapine Clozapine: A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent.. clozapine : A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia. | 2 | 1 | 0 | benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound | adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic |
| allopurinol Allopurinol: A XANTHINE OXIDASE inhibitor that decreases URIC ACID production. It also acts as an antimetabolite on some simpler organisms.. allopurinol : A bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring. | 3.24 | 6 | 0 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
| 2,2'-(hydroxynitrosohydrazono)bis-ethanamine 2,2'-(hydroxynitrosohydrazono)bis-ethanamine: a nitric oxide (NO) generating compound. 1,1-bis(2-aminoethyl)-2-hydroxy-3-oxotriazane : A nitroso compound that is triazane in which the the nitrogen at position 1 is substituted by two 2-aminoethyl groups, that at position 2 is substituted by a hydroxy group, and that at position 3 is substituted by an oxo group. | 2.43 | 2 | 0 | ||
| roseophilin roseophilin: isolated from Streptomyces griseovirdis; structure in first source | 2.31 | 1 | 0 | ||
| vicine vicine: pyrimidine glycoside found in fava bean; structure | 2.07 | 1 | 0 | glycoside | |
| dipropylenetriamine-nonoate [no description available] | 5.86 | 22 | 1 | ||
| prodigiosin Prodigiosin: 4-Methoxy-5-((5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl)- 2,2'-bi-1H-pyrrole. A toxic, bright red tripyrrole pigment from Serratia marcescens and others. It has antibacterial, anticoccidial, antimalarial, and antifungal activities, but is used mainly as a biochemical tool.. prodigiosin : A member of the class of tripyrroles that is a red-coloured pigment with antibiotic properties produced by Serratia marcescens. | 2.94 | 4 | 0 | ||
| 2',3'-dideoxyguanosine [no description available] | 2 | 1 | 0 | ||
| imidacloprid imidacloprid: systemic & contact insecticide exhibiting low mammalian toxicity; structure given in first source; it is one of the neonicotinoid insecticides, which acts as an antagonist by binding to postsynaptic nicotinic receptors in the insect central nervous system. imidacloprid : An imidazolidine that is N-nitroimidazolidin-2-imine bearing a (6-chloro-3-pyridinyl)methyl substituent at position 1. | 4.43 | 19 | 0 | imidacloprid; imidazolidines; monochloropyridine | environmental contaminant; genotoxin; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic |
| alpha-(4-pyridyl-1-oxide)-n-tert-butylnitrone alpha-(4-pyridyl-1-oxide)-N-tert-butylnitrone: structure given in first source | 2.05 | 1 | 0 | ||
| carthamine carthamine: composed of two chalcones; from Carthamus tinctorius; the conjugated bonds cause a red color; derived from precarthamin by a decarboxylase; do not confuse with carthamidin | 2.01 | 1 | 0 | hydroxycinnamic acid | |
| trimedoxime bromide Trimedoxime: Cholinesterase reactivator used as an antidote in alkyl phosphate poisoning. | 2.1 | 1 | 0 | ||
| clothianidin clothianidin: structure in first source. clothianidin : An N-nitro compound consisting of 2-nitroguanidine having a (2-chloro-1,3-thiazol-5-yl)methyl group at position 1 and a methyl group at position 3. | 2.6 | 1 | 0 | 1,3-thiazoles; 2-nitroguanidine derivative; clothianidin; organochlorine compound | environmental contaminant; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic |
| molybdenum cofactor molybdenum cofactor: also see records for molybdopterin cytosine dinucleotide and molybdopterin guanine dinucleotide. MoO2-molybdopterin cofactor(2-) : An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of MoO2-molybdopterin cofactor.. MoO2-molybdopterin cofactor : An Mo-molybdopterin cofactor in which the coordinated molybdenum species is MoO2. | 2.25 | 1 | 0 | Mo-molybdopterin cofactor; organophosphate oxoanion | |
| cyanine dye 3 cyanine dye 3: structures of Cy3 derivatives given in first source | 2.03 | 1 | 0 | ||
| trehazolin trehazolin: from Micromonospora strain SANK 62390; structure given in first source | 2 | 1 | 0 | ||
| cholestyramine resin Cholestyramine Resin: A strongly basic anion exchange resin whose main constituent is polystyrene trimethylbenzylammonium Cl(-) anion. | 3.45 | 2 | 0 | ||
| eye [no description available] | 4.15 | 5 | 0 | ||
| oximidine iii oximidine III: an antitumor antibiotic isolated from Pseudomonas; structure in first source | 2.43 | 2 | 0 | ||
| tirandamycin c tirandamycin C: from a marine-derived Streptomyces sp.; structure in first source | 3.61 | 2 | 0 | ||
| chaetomanone chaetomanone: antimycobacterial anthraquinone-chromanone compound from the fungus Chaetomium globosum KMITL-N0802; structure in first source | 2.03 | 1 | 0 | ||
| lacticin 481 lacticin 481: amino acid sequence given in first source; a lantibiotic; GenBank X71410 (L. lactis) | 2.03 | 1 | 0 | ||
| oocydin a oocydin A: isolated from Serratia marcescens; structure in first source | 7.04 | 1 | 0 | ||
| galiellalactone galiellalactone: structure in first source | 2.03 | 1 | 0 | ||
| lucentamycin a lucentamycin A: cytotoxic peptide from the marine-derived actinomycete Nocardiopsis lucentensis; structure in first source | 2.47 | 2 | 0 | ||
| novofumigatonin novofumigatonin: an orthoester meroterpenoid from Aspergillus novofumigatus; structure in first source | 3.41 | 1 | 0 | cyclic ketone; meroterpenoid; organic heteropolycyclic compound; ortho ester | |
| sch 725674 Sch 725674: a macrocyclic lactone from Aspergillus sp; structure in first source | 2.13 | 1 | 0 | ||
| concanavalin a Concanavalin A: A MANNOSE/GLUCOSE binding lectin isolated from the jack bean (Canavalia ensiformis). It is a potent mitogen used to stimulate cell proliferation in lymphocytes, primarily T-lymphocyte, cultures. | 3.51 | 2 | 0 | ||
| nisin z nisin Z: amino acid sequence given in first source; differs from nisin in a single amino acid | 2.43 | 2 | 0 | ||
| neaumycin b neaumycin B: isolated from the soil actinomycete Streptomyces sp. NEAU-x211; structure in first source | 2.31 | 1 | 0 | ||
| dinitrobenzenes Dinitrobenzenes: Benzene derivatives which are substituted with two nitro groups in the ortho, meta or para positions. | 1.92 | 1 | 0 | ||
| phosphorus radioisotopes Phosphorus Radioisotopes: Unstable isotopes of phosphorus that decay or disintegrate emitting radiation. P atoms with atomic weights 28-34 except 31 are radioactive phosphorus isotopes. | 2.65 | 3 | 0 | ||
| pyrimidinones Pyrimidinones: Heterocyclic compounds known as 2-pyrimidones (or 2-hydroxypyrimidines) and 4-pyrimidones (or 4-hydroxypyrimidines) with the general formula C4H4N2O. | 4.61 | 8 | 0 | ||
| merrilactone a merrilactone A: structure in first source | 2.07 | 1 | 0 | ||
| filipin Filipin: A complex of polyene antibiotics obtained from Streptomyces filipinensis. Filipin III alters membrane function by interfering with membrane sterols, inhibits mitochondrial respiration, and is proposed as an antifungal agent. Filipins I, II, and IV are less important. | 2.02 | 1 | 0 | ||
| 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. | 10.54 | 22 | 0 |
| Condition | Indicated | Relationship Strength | Studies | Trials |
|---|---|---|---|---|
| Depression Depressive states usually of moderate intensity in contrast with MAJOR DEPRESSIVE DISORDER present in neurotic and psychotic disorders. | 0 | 3.11 | 4 | 0 |
| Acute Confusional Senile Dementia [description not available] | 0 | 6.15 | 21 | 0 |
| Alzheimer Disease A degenerative disease of the BRAIN characterized by the insidious onset of DEMENTIA. Impairment of MEMORY, judgment, attention span, and problem solving skills are followed by severe APRAXIAS and a global loss of cognitive abilities. The condition primarily occurs after age 60, and is marked pathologically by severe cortical atrophy and the triad of SENILE PLAQUES; NEUROFIBRILLARY TANGLES; and NEUROPIL THREADS. (From Adams et al., Principles of Neurology, 6th ed, pp1049-57) | 0 | 6.15 | 21 | 0 |
| Neuroblastoma A common neoplasm of early childhood arising from neural crest cells in the sympathetic nervous system, and characterized by diverse clinical behavior, ranging from spontaneous remission to rapid metastatic progression and death. This tumor is the most common intraabdominal malignancy of childhood, but it may also arise from thorax, neck, or rarely occur in the central nervous system. Histologic features include uniform round cells with hyperchromatic nuclei arranged in nests and separated by fibrovascular septa. Neuroblastomas may be associated with the opsoclonus-myoclonus syndrome. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, pp2099-2101; Curr Opin Oncol 1998 Jan;10(1):43-51) | 0 | 2.75 | 3 | 0 |
| 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 | 2.31 | 1 | 0 |
| 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 | 3.25 | 6 | 0 |
| 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 | 2.31 | 1 | 0 |
| Anaphylactic Reaction [description not available] | 0 | 2.69 | 2 | 0 |
| Anaphylaxis An acute hypersensitivity reaction due to exposure to a previously encountered ANTIGEN. The reaction may include rapidly progressing URTICARIA, respiratory distress, vascular collapse, systemic SHOCK, and death. | 0 | 2.69 | 2 | 0 |
| Infarct [description not available] | 0 | 2.41 | 1 | 0 |
| Injury, Ischemia-Reperfusion [description not available] | 0 | 4.04 | 13 | 0 |
| Reperfusion Injury Adverse functional, metabolic, or structural changes in tissues that result from the restoration of blood flow to the tissue (REPERFUSION) following ISCHEMIA. | 0 | 4.04 | 13 | 0 |
| Soft Tissue Neoplasms Neoplasms of whatever cell type or origin, occurring in the extraskeletal connective tissue framework of the body including the organs of locomotion and their various component structures, such as nerves, blood vessels, lymphatics, etc. | 0 | 2.41 | 1 | 0 |
| Infections, Orthomyxoviridae [description not available] | 0 | 2.41 | 1 | 0 |
| Orthomyxoviridae Infections Virus diseases caused by the ORTHOMYXOVIRIDAE. | 0 | 2.41 | 1 | 0 |
| Apoplexy [description not available] | 0 | 4.94 | 7 | 0 |
| Stroke A group of pathological conditions characterized by sudden, non-convulsive loss of neurological function due to BRAIN ISCHEMIA or INTRACRANIAL HEMORRHAGES. Stroke is classified by the type of tissue NECROSIS, such as the anatomic location, vasculature involved, etiology, age of the affected individual, and hemorrhagic vs. non-hemorrhagic nature. (From Adams et al., Principles of Neurology, 6th ed, pp777-810) | 0 | 4.94 | 7 | 0 |
| Cerebral Infarction, Middle Cerebral Artery [description not available] | 0 | 3.07 | 4 | 0 |
| Anoxemia [description not available] | 0 | 2.77 | 3 | 0 |
| Cerebral Ischemia [description not available] | 0 | 4.72 | 10 | 0 |
| Hypoxia Sub-optimal OXYGEN levels in the ambient air of living organisms. | 0 | 2.77 | 3 | 0 |
| Brain Ischemia Localized reduction of blood flow to brain tissue due to arterial obstruction or systemic hypoperfusion. This frequently occurs in conjunction with brain hypoxia (HYPOXIA, BRAIN). Prolonged ischemia is associated with BRAIN INFARCTION. | 0 | 4.72 | 10 | 0 |
| Infarction, Middle Cerebral Artery NECROSIS occurring in the MIDDLE CEREBRAL ARTERY distribution system which brings blood to the entire lateral aspects of each CEREBRAL HEMISPHERE. Clinical signs include impaired cognition; APHASIA; AGRAPHIA; weak and numbness in the face and arms, contralaterally or bilaterally depending on the infarction. | 0 | 3.07 | 4 | 0 |
| Joint Pain [description not available] | 0 | 2.41 | 1 | 0 |
| Pain, Chronic [description not available] | 0 | 2.41 | 1 | 0 |
| Polyarthritis [description not available] | 0 | 3.19 | 6 | 0 |
| Innate Inflammatory Response [description not available] | 0 | 4.61 | 25 | 0 |
| Arthritis Acute or chronic inflammation of JOINTS. | 0 | 3.19 | 6 | 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 | 4.61 | 25 | 0 |
| Arthralgia Pain in the joint. | 0 | 2.41 | 1 | 0 |
| Chronic Pain Aching sensation that persists for more than a few months. It may or may not be associated with trauma or disease, and may persist after the initial injury has healed. Its localization, character, and timing are more vague than with acute pain. | 0 | 2.41 | 1 | 0 |
| Cancer of Prostate [description not available] | 0 | 2.58 | 2 | 0 |
| Prostatic Neoplasms Tumors or cancer of the PROSTATE. | 0 | 2.58 | 2 | 0 |
| Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms. | 0 | 4.23 | 18 | 0 |
| Alloxan Diabetes [description not available] | 0 | 4.47 | 8 | 0 |
| Amyloid Deposits [description not available] | 0 | 4.83 | 12 | 0 |
| Idiopathic Parkinson Disease [description not available] | 0 | 2.52 | 2 | 0 |
| Parkinson Disease A progressive, degenerative neurologic disease characterized by a TREMOR that is maximal at rest, retropulsion (i.e. a tendency to fall backwards), rigidity, stooped posture, slowness of voluntary movements, and a masklike facial expression. Pathologic features include loss of melanin containing neurons in the substantia nigra and other pigmented nuclei of the brainstem. LEWY BODIES are present in the substantia nigra and locus coeruleus but may also be found in a related condition (LEWY BODY DISEASE, DIFFUSE) characterized by dementia in combination with varying degrees of parkinsonism. (Adams et al., Principles of Neurology, 6th ed, p1059, pp1067-75) | 0 | 2.52 | 2 | 0 |
| Chromosomal Translocation [description not available] | 0 | 4.02 | 9 | 0 |
| Arrhythmia [description not available] | 0 | 3.27 | 5 | 0 |
| Arrhythmias, Cardiac Any disturbances of the normal rhythmic beating of the heart or MYOCARDIAL CONTRACTION. Cardiac arrhythmias can be classified by the abnormalities in HEART RATE, disorders of electrical impulse generation, or impulse conduction. | 0 | 3.27 | 5 | 0 |
| Hepatocellular Carcinoma [description not available] | 0 | 3.29 | 6 | 0 |
| Cancer of Liver [description not available] | 0 | 3.14 | 5 | 0 |
| Carcinoma, Hepatocellular A primary malignant neoplasm of epithelial liver cells. It ranges from a well-differentiated tumor with EPITHELIAL CELLS indistinguishable from normal HEPATOCYTES to a poorly differentiated neoplasm. The cells may be uniform or markedly pleomorphic, or form GIANT CELLS. Several classification schemes have been suggested. | 0 | 3.29 | 6 | 0 |
| Liver Neoplasms Tumors or cancer of the LIVER. | 0 | 3.14 | 5 | 0 |
| Dyslipidemia [description not available] | 0 | 2.6 | 1 | 0 |
| Dyslipidemias Abnormalities in the serum levels of LIPIDS, including overproduction or deficiency. Abnormal serum lipid profiles may include high total CHOLESTEROL, high TRIGLYCERIDES, low HIGH DENSITY LIPOPROTEIN CHOLESTEROL, and elevated LOW DENSITY LIPOPROTEIN CHOLESTEROL. | 0 | 2.6 | 1 | 0 |
| ER-Negative PR-Negative HER2-Negative Breast Cancer [description not available] | 0 | 2.6 | 1 | 0 |
| Triple Negative Breast Neoplasms Breast neoplasms that do not express ESTROGEN RECEPTORS; PROGESTERONE RECEPTORS; and do not overexpress the NEU RECEPTOR/HER-2 PROTO-ONCOGENE PROTEIN. | 0 | 2.6 | 1 | 0 |
| Adverse Drug Event [description not available] | 0 | 3.33 | 2 | 0 |
| Diabetes Mellitus, Gestational [description not available] | 0 | 2.6 | 1 | 0 |
| Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH. | 0 | 7.29 | 25 | 1 |
| Diabetes, Gestational Diabetes mellitus induced by PREGNANCY but resolved at the end of pregnancy. It does not include previously diagnosed diabetics who become pregnant (PREGNANCY IN DIABETICS). Gestational diabetes usually develops in late pregnancy when insulin antagonistic hormones peaks leading to INSULIN RESISTANCE; GLUCOSE INTOLERANCE; and HYPERGLYCEMIA. | 0 | 2.6 | 1 | 0 |
| Drug-Related Side Effects and Adverse Reactions Disorders that result from the intended use of PHARMACEUTICAL PREPARATIONS. Included in this heading are a broad variety of chemically-induced adverse conditions due to toxicity, DRUG INTERACTIONS, and metabolic effects of pharmaceuticals. | 0 | 3.33 | 2 | 0 |
| Infections, Respiratory Syncytial Virus [description not available] | 0 | 2.25 | 1 | 0 |
| Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases. | 0 | 6.59 | 46 | 0 |
| Respiratory Syncytial Virus Infections Pneumovirus infections caused by the RESPIRATORY SYNCYTIAL VIRUSES. Humans and cattle are most affected but infections in goats and sheep have been reported. | 0 | 2.25 | 1 | 0 |
| Anterior Choroidal Artery Infarction [description not available] | 0 | 3.77 | 3 | 0 |
| Acute Disease Disease having a short and relatively severe course. | 0 | 5.38 | 13 | 0 |
| Cerebral Infarction The formation of an area of NECROSIS in the CEREBRUM caused by an insufficiency of arterial or venous blood flow. Infarcts of the cerebrum are generally classified by hemisphere (i.e., left vs. right), lobe (e.g., frontal lobe infarction), arterial distribution (e.g., INFARCTION, ANTERIOR CEREBRAL ARTERY), and etiology (e.g., embolic infarction). | 0 | 3.77 | 3 | 0 |
| Parodontosis [description not available] | 0 | 3.61 | 3 | 0 |
| Pericementitis [description not available] | 0 | 2.49 | 2 | 0 |
| Periodontal Diseases Pathological processes involving the PERIODONTIUM including the gum (GINGIVA), the alveolar bone (ALVEOLAR PROCESS), the DENTAL CEMENTUM, and the PERIODONTAL LIGAMENT. | 0 | 3.61 | 3 | 0 |
| Periodontitis Inflammation and loss of connective tissues supporting or surrounding the teeth. This may involve any part of the PERIODONTIUM. Periodontitis is currently classified by disease progression (CHRONIC PERIODONTITIS; AGGRESSIVE PERIODONTITIS) instead of age of onset. (From 1999 International Workshop for a Classification of Periodontal Diseases and Conditions, American Academy of Periodontology) | 0 | 2.49 | 2 | 0 |
| Breast Cancer [description not available] | 0 | 6.72 | 21 | 1 |
| Breast Neoplasms Tumors or cancer of the human BREAST. | 0 | 6.72 | 21 | 1 |
| Adjuvant Arthritis [description not available] | 0 | 2.86 | 3 | 0 |
| Rheumatoid Arthritis [description not available] | 0 | 5.77 | 12 | 2 |
| Arthritis, Rheumatoid A chronic systemic disease, primarily of the joints, marked by inflammatory changes in the synovial membranes and articular structures, widespread fibrinoid degeneration of the collagen fibers in mesenchymal tissues, and by atrophy and rarefaction of bony structures. Etiology is unknown, but autoimmune mechanisms have been implicated. | 0 | 5.77 | 12 | 2 |
| Benign Neoplasms [description not available] | 0 | 9.08 | 39 | 2 |
| 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 | 9.08 | 39 | 2 |
| Atherogenesis [description not available] | 0 | 2.57 | 2 | 0 |
| Diabetes Mellitus, Adult-Onset [description not available] | 0 | 3.78 | 10 | 0 |
| Diabetes Mellitus, Type 2 A subclass of DIABETES MELLITUS that is not INSULIN-responsive or dependent (NIDDM). It is characterized initially by INSULIN RESISTANCE and HYPERINSULINEMIA; and eventually by GLUCOSE INTOLERANCE; HYPERGLYCEMIA; and overt diabetes. Type II diabetes mellitus is no longer considered a disease exclusively found in adults. Patients seldom develop KETOSIS but often exhibit OBESITY. | 0 | 3.78 | 10 | 0 |
| Atherosclerosis A thickening and loss of elasticity of the walls of ARTERIES that occurs with formation of ATHEROSCLEROTIC PLAQUES within the ARTERIAL INTIMA. | 0 | 2.57 | 2 | 0 |
| Infections, Plasmodium [description not available] | 0 | 3.67 | 9 | 0 |
| 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 | 3.67 | 9 | 0 |
| Dehydration The condition that results from excessive loss of water from a living organism. | 0 | 3.69 | 9 | 0 |
| 2019 Novel Coronavirus Disease [description not available] | 0 | 2.66 | 2 | 0 |
| Cancer of Pancreas [description not available] | 0 | 2.83 | 3 | 0 |
| 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 | 2.83 | 3 | 0 |
| Infections, Coronavirus [description not available] | 0 | 2.25 | 1 | 0 |
| Pneumonia, Viral Inflammation of the lung parenchyma that is caused by a viral infection. | 0 | 2.25 | 1 | 0 |
| Coronavirus Infections Virus diseases caused by the CORONAVIRUS genus. Some specifics include transmissible enteritis of turkeys (ENTERITIS, TRANSMISSIBLE, OF TURKEYS); FELINE INFECTIOUS PERITONITIS; and transmissible gastroenteritis of swine (GASTROENTERITIS, TRANSMISSIBLE, OF SWINE). | 0 | 2.25 | 1 | 0 |
| Injury, Myocardial Reperfusion [description not available] | 0 | 3.53 | 8 | 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 | 5.19 | 46 | 0 |
| Acute Liver Injury, Drug-Induced [description not available] | 0 | 3.67 | 10 | 0 |
| Necrosis The death of cells in an organ or tissue due to disease, injury or failure of the blood supply. | 0 | 4.39 | 8 | 0 |
| Chemical and Drug Induced Liver Injury A spectrum of clinical liver diseases ranging from mild biochemical abnormalities to ACUTE LIVER FAILURE, caused by drugs, drug metabolites, herbal and dietary supplements and chemicals from the environment. | 0 | 3.67 | 10 | 0 |
| Uterine Prolapse Downward displacement of the UTERUS. It is classified in various degrees: in the first degree the UTERINE CERVIX is within the vaginal orifice; in the second degree the cervix is outside the orifice; in the third degree the entire uterus is outside the orifice. | 0 | 2.48 | 2 | 0 |
| Acute Ischemic Stroke [description not available] | 0 | 2.31 | 1 | 0 |
| Ischemic Stroke Stroke due to BRAIN ISCHEMIA resulting in interruption or reduction of blood flow to a part of the brain. When obstruction is due to a BLOOD CLOT formed within in a cerebral blood vessel it is a thrombotic stroke. When obstruction is formed elsewhere and moved to block a cerebral blood vessel (see CEREBRAL EMBOLISM) it is referred to as embolic stroke. Wake-up stroke refers to ischemic stroke occurring during sleep while cryptogenic stroke refers to ischemic stroke of unknown origin. | 0 | 2.31 | 1 | 0 |
| Insulin Sensitivity [description not available] | 0 | 2.31 | 1 | 0 |
| Insulin Resistance Diminished effectiveness of INSULIN in lowering blood sugar levels: requiring the use of 200 units or more of insulin per day to prevent HYPERGLYCEMIA or KETOSIS. | 0 | 2.31 | 1 | 0 |
| Cognitive Decline [description not available] | 0 | 2.15 | 1 | 0 |
| Cognition Disorders Disorders characterized by disturbances in mental processes related to learning, thinking, reasoning, and judgment. | 0 | 2.54 | 2 | 0 |
| Cognitive Dysfunction Diminished or impaired mental and/or intellectual function. | 0 | 2.15 | 1 | 0 |
| Invasiveness, Neoplasm [description not available] | 0 | 3.94 | 4 | 0 |
| Astrocytoma, Grade IV [description not available] | 0 | 2.81 | 3 | 0 |
| Glioblastoma A malignant form of astrocytoma histologically characterized by pleomorphism of cells, nuclear atypia, microhemorrhage, and necrosis. They may arise in any region of the central nervous system, with a predilection for the cerebral hemispheres, basal ganglia, and commissural pathways. Clinical presentation most frequently occurs in the fifth or sixth decade of life with focal neurologic signs or seizures. | 0 | 2.81 | 3 | 0 |
| Skin Aging The process of aging due to changes in the structure and elasticity of the skin over time. It may be a part of physiological aging or it may be due to the effects of ultraviolet radiation, usually through exposure to sunlight. | 0 | 2.15 | 1 | 0 |
| Cardiovascular Stroke [description not available] | 0 | 4.17 | 6 | 0 |
| Myocardial Infarction NECROSIS of the MYOCARDIUM caused by an obstruction of the blood supply to the heart (CORONARY CIRCULATION). | 0 | 4.17 | 6 | 0 |
| Adenocarcinoma, Basal Cell [description not available] | 0 | 3.37 | 7 | 0 |
| Cancer of Lung [description not available] | 0 | 5.23 | 12 | 1 |
| Adenocarcinoma A malignant epithelial tumor with a glandular organization. | 0 | 3.37 | 7 | 0 |
| Lung Neoplasms Tumors or cancer of the LUNG. | 0 | 5.23 | 12 | 1 |
| Anasarca [description not available] | 0 | 3.08 | 5 | 0 |
| Edema Abnormal fluid accumulation in TISSUES or body cavities. Most cases of edema are present under the SKIN in SUBCUTANEOUS TISSUE. | 0 | 3.08 | 5 | 0 |
| Anterior Cerebral Circulation Infarction [description not available] | 0 | 2.15 | 1 | 0 |
| Blood Diseases [description not available] | 0 | 2.15 | 1 | 0 |
| Hematologic Diseases Disorders of the blood and blood forming tissues. | 0 | 2.15 | 1 | 0 |
| Brain Infarction Tissue NECROSIS in any area of the brain, including the CEREBRAL HEMISPHERES, the CEREBELLUM, and the BRAIN STEM. Brain infarction is the result of a cascade of events initiated by inadequate blood flow through the brain that is followed by HYPOXIA and HYPOGLYCEMIA in brain tissue. Damage may be temporary, permanent, selective or pan-necrosis. | 0 | 2.15 | 1 | 0 |
| Extravascular Hemolysis [description not available] | 0 | 3.79 | 11 | 0 |
| Hemolysis The destruction of ERYTHROCYTES by many different causal agents such as antibodies, bacteria, chemicals, temperature, and changes in tonicity. | 0 | 3.79 | 11 | 0 |
| Granulocytic Leukemia [description not available] | 0 | 2.17 | 1 | 0 |
| Leukemia, Myeloid Form of leukemia characterized by an uncontrolled proliferation of the myeloid lineage and their precursors (MYELOID PROGENITOR CELLS) in the bone marrow and other sites. | 0 | 2.17 | 1 | 0 |
| Acute Kidney Failure [description not available] | 0 | 2.17 | 1 | 0 |
| Acute Kidney Injury Abrupt reduction in kidney function. Acute kidney injury encompasses the entire spectrum of the syndrome including acute kidney failure; ACUTE KIDNEY TUBULAR NECROSIS; and other less severe conditions. | 0 | 2.17 | 1 | 0 |
| Acute Onset Vascular Dementia [description not available] | 0 | 3.09 | 1 | 0 |
| Dementia, Vascular An imprecise term referring to dementia associated with CEREBROVASCULAR DISORDERS, including CEREBRAL INFARCTION (single or multiple), and conditions associated with chronic BRAIN ISCHEMIA. Diffuse, cortical, and subcortical subtypes have been described. (From Gerontol Geriatr 1998 Feb;31(1):36-44) | 0 | 3.09 | 1 | 0 |
| Anesthesia A state characterized by loss of feeling or sensation. This depression of nerve function is usually the result of pharmacologic action and is induced to allow performance of surgery or other painful procedures. | 0 | 2.41 | 2 | 0 |
| Break-Bone Fever [description not available] | 0 | 2.83 | 3 | 0 |
| Rift Valley Fever An acute infection caused by the RIFT VALLEY FEVER VIRUS, an RNA arthropod-borne virus, affecting domestic animals and humans. In animals, symptoms include HEPATITIS; abortion (ABORTION, VETERINARY); and DEATH. In humans, symptoms range from those of a flu-like disease to hemorrhagic fever, ENCEPHALITIS, or BLINDNESS. | 0 | 2.17 | 1 | 0 |
| Dengue An acute febrile disease transmitted by the bite of AEDES mosquitoes infected with DENGUE VIRUS. It is self-limiting and characterized by fever, myalgia, headache, and rash. SEVERE DENGUE is a more virulent form of dengue. | 0 | 2.83 | 3 | 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 | 3.64 | 9 | 0 |
| Cadaver A dead body, usually a human body. | 0 | 2.17 | 1 | 0 |
| Hypermelanosis [description not available] | 0 | 2.17 | 1 | 0 |
| B16 Melanoma [description not available] | 0 | 2.55 | 2 | 0 |
| Hyperpigmentation Excessive pigmentation of the skin, usually as a result of increased epidermal or dermal melanin pigmentation, hypermelanosis. Hyperpigmentation can be localized or generalized. The condition may arise from exposure to light, chemicals or other substances, or from a primary metabolic imbalance. | 0 | 2.17 | 1 | 0 |
| Emergencies Situations or conditions requiring immediate intervention to avoid serious adverse results. | 0 | 2.39 | 2 | 0 |
| Cardiac Failure [description not available] | 0 | 2.39 | 2 | 0 |
| Heart Failure A heterogeneous condition in which the heart is unable to pump out sufficient blood to meet the metabolic need of the body. Heart failure can be caused by structural defects, functional abnormalities (VENTRICULAR DYSFUNCTION), or a sudden overload beyond its capacity. Chronic heart failure is more common than acute heart failure which results from sudden insult to cardiac function, such as MYOCARDIAL INFARCTION. | 0 | 2.39 | 2 | 0 |
| MS (Multiple Sclerosis) [description not available] | 0 | 3.09 | 1 | 0 |
| Diabetes Mellitus A heterogeneous group of disorders characterized by HYPERGLYCEMIA and GLUCOSE INTOLERANCE. | 0 | 3.09 | 1 | 0 |
| Multiple Sclerosis An autoimmune disorder mainly affecting young adults and characterized by destruction of myelin in the central nervous system. Pathologic findings include multiple sharply demarcated areas of demyelination throughout the white matter of the central nervous system. Clinical manifestations include visual loss, extra-ocular movement disorders, paresthesias, loss of sensation, weakness, dysarthria, spasticity, ataxia, and bladder dysfunction. The usual pattern is one of recurrent attacks followed by partial recovery (see MULTIPLE SCLEROSIS, RELAPSING-REMITTING), but acute fulminating and chronic progressive forms (see MULTIPLE SCLEROSIS, CHRONIC PROGRESSIVE) also occur. (Adams et al., Principles of Neurology, 6th ed, p903) | 0 | 3.09 | 1 | 0 |
| Cancer of Ovary [description not available] | 0 | 2.77 | 3 | 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 | 2.77 | 3 | 0 |
| Age-Related Macular Degeneration [description not available] | 0 | 2.46 | 2 | 0 |
| Macular Degeneration Degenerative changes in the RETINA usually of older adults which results in a loss of vision in the center of the visual field (the MACULA LUTEA) because of damage to the retina. It occurs in dry and wet forms. | 0 | 2.46 | 2 | 0 |
| Brain Hemorrhage [description not available] | 0 | 2.17 | 1 | 0 |
| Brain Swelling [description not available] | 0 | 2.17 | 1 | 0 |
| Carotid Artery Thrombosis Blood clot formation in any part of the CAROTID ARTERIES. This may produce CAROTID STENOSIS or occlusion of the vessel, leading to TRANSIENT ISCHEMIC ATTACK; CEREBRAL INFARCTION; or AMAUROSIS FUGAX. | 0 | 2.17 | 1 | 0 |
| Brain Edema Increased intracellular or extracellular fluid in brain tissue. Cytotoxic brain edema (swelling due to increased intracellular fluid) is indicative of a disturbance in cell metabolism, and is commonly associated with hypoxic or ischemic injuries (see HYPOXIA, BRAIN). An increase in extracellular fluid may be caused by increased brain capillary permeability (vasogenic edema), an osmotic gradient, local blockages in interstitial fluid pathways, or by obstruction of CSF flow (e.g., obstructive HYDROCEPHALUS). (From Childs Nerv Syst 1992 Sep; 8(6):301-6) | 0 | 2.17 | 1 | 0 |
| Intracranial Hemorrhages Bleeding within the SKULL, including hemorrhages in the brain and the three membranes of MENINGES. The escape of blood often leads to the formation of HEMATOMA in the cranial epidural, subdural, and subarachnoid spaces. | 0 | 2.17 | 1 | 0 |
| Glial Cell Tumors [description not available] | 0 | 2.21 | 1 | 0 |
| 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 | 2.21 | 1 | 0 |
| Brain Inflammation [description not available] | 0 | 2.52 | 2 | 0 |
| Encephalitis Inflammation of the BRAIN due to infection, autoimmune processes, toxins, and other conditions. Viral infections (see ENCEPHALITIS, VIRAL) are a relatively frequent cause of this condition. | 0 | 2.52 | 2 | 0 |
| Chronic Kidney Diseases [description not available] | 0 | 2.21 | 1 | 0 |
| Uremia A clinical syndrome associated with the retention of renal waste products or uremic toxins in the blood. It is usually the result of RENAL INSUFFICIENCY. Most uremic toxins are end products of protein or nitrogen CATABOLISM, such as UREA or CREATININE. Severe uremia can lead to multiple organ dysfunctions with a constellation of symptoms. | 0 | 2.48 | 2 | 0 |
| Renal Insufficiency, Chronic Conditions in which the KIDNEYS perform below the normal level for more than three months. Chronic kidney insufficiency is classified by five stages according to the decline in GLOMERULAR FILTRATION RATE and the degree of kidney damage (as measured by the level of PROTEINURIA). The most severe form is the end-stage renal disease (CHRONIC KIDNEY FAILURE). (Kidney Foundation: Kidney Disease Outcome Quality Initiative, 2002) | 0 | 2.21 | 1 | 0 |
| Tick Infestations Infestations with soft-bodied (Argasidae) or hard-bodied (Ixodidae) ticks. | 0 | 2.21 | 1 | 0 |
| Carcinoma, Ehrlich Tumor A transplantable, poorly differentiated malignant tumor which appeared originally as a spontaneous breast carcinoma in a mouse. It grows in both solid and ascitic forms. | 0 | 3.45 | 8 | 0 |
| Degenerative Disc Disease [description not available] | 0 | 2.25 | 1 | 0 |
| Intervertebral Disc Degeneration Degenerative changes in the INTERVERTEBRAL DISC due to aging or structural damage, especially to the vertebral end-plates. | 0 | 2.25 | 1 | 0 |
| Malignant Melanoma [description not available] | 0 | 2.98 | 4 | 0 |
| Melanoma A malignant neoplasm derived from cells that are capable of forming melanin, which may occur in the skin of any part of the body, in the eye, or, rarely, in the mucous membranes of the genitalia, anus, oral cavity, or other sites. It occurs mostly in adults and may originate de novo or from a pigmented nevus or malignant lentigo. Melanomas frequently metastasize widely, and the regional lymph nodes, liver, lungs, and brain are likely to be involved. The incidence of malignant skin melanomas is rising rapidly in all parts of the world. (Stedman, 25th ed; from Rook et al., Textbook of Dermatology, 4th ed, p2445) | 0 | 2.98 | 4 | 0 |
| Aortic Stenosis, Supravalvular A pathological constriction occurring in the region above the AORTIC VALVE. It is characterized by restricted outflow from the LEFT VENTRICLE into the AORTA. | 0 | 2.08 | 1 | 0 |
| Coronary Artery Stenosis [description not available] | 0 | 2.49 | 2 | 0 |
| Foreign Bodies Inanimate objects that become enclosed in the body. | 0 | 2.49 | 2 | 0 |
| Asystole [description not available] | 0 | 2.67 | 3 | 0 |
| Complication, Postoperative [description not available] | 0 | 4.29 | 7 | 0 |
| Dextro-Looped Transposition of the Great Arteries [description not available] | 0 | 2.08 | 1 | 0 |
| Heart Arrest Cessation of heart beat or MYOCARDIAL CONTRACTION. If it is treated within a few minutes, heart arrest can be reversed in most cases to normal cardiac rhythm and effective circulation. | 0 | 2.67 | 3 | 0 |
| 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 | 4.29 | 7 | 0 |
| Transposition of Great Vessels A congenital cardiovascular malformation in which the AORTA arises entirely from the RIGHT VENTRICLE, and the PULMONARY ARTERY arises from the LEFT VENTRICLE. Consequently, the pulmonary and the systemic circulations are parallel and not sequential, so that the venous return from the peripheral circulation is re-circulated by the right ventricle via aorta to the systemic circulation without being oxygenated in the lungs. This is a potentially lethal form of heart disease in newborns and infants. | 0 | 2.08 | 1 | 0 |
| Coronary Stenosis Narrowing or constriction of a coronary artery. | 0 | 2.49 | 2 | 0 |
| Ocular Infections [description not available] | 0 | 2.08 | 1 | 0 |
| Keratitis Inflammation of the cornea. | 0 | 2.08 | 1 | 0 |
| Eye Infections Infection, moderate to severe, caused by bacteria, fungi, or viruses, which occurs either on the external surface of the eye or intraocularly with probable inflammation, visual impairment, or blindness. | 0 | 2.08 | 1 | 0 |
| Bacterial Disease [description not available] | 0 | 2.08 | 1 | 0 |
| Fungal Diseases [description not available] | 0 | 5.28 | 7 | 0 |
| Bacterial Infections Infections by bacteria, general or unspecified. | 0 | 2.08 | 1 | 0 |
| Mycoses Diseases caused by FUNGI. | 0 | 5.28 | 7 | 0 |
| Gouty Arthritis [description not available] | 0 | 2.1 | 1 | 0 |
| Arthritis, Gouty Arthritis, especially of the great toe, as a result of gout. Acute gouty arthritis often is precipitated by trauma, infection, surgery, etc. The initial attacks are usually monoarticular but later attacks are often polyarticular. Acute and chronic gouty arthritis are associated with accumulation of MONOSODIUM URATE in and around affected joints. | 0 | 2.1 | 1 | 0 |
| Angiogenesis, Pathologic [description not available] | 0 | 2.48 | 2 | 0 |
| Bleeding [description not available] | 0 | 2.08 | 1 | 0 |
| Gastric Ulcer [description not available] | 0 | 2.08 | 1 | 0 |
| Infections, Helicobacter [description not available] | 0 | 2.08 | 1 | 0 |
| Hemorrhage Bleeding or escape of blood from a vessel. | 0 | 2.08 | 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 | 2.08 | 1 | 0 |
| 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 | 2.08 | 1 | 0 |
| Bladder Cancer [description not available] | 0 | 2.08 | 1 | 0 |
| Adenoma, Prostatic [description not available] | 0 | 2.89 | 4 | 0 |
| Urinary Bladder Neoplasms Tumors or cancer of the URINARY BLADDER. | 0 | 2.08 | 1 | 0 |
| Prostatic Hyperplasia Increase in constituent cells in the PROSTATE, leading to enlargement of the organ (hypertrophy) and adverse impact on the lower urinary tract function. This can be caused by increased rate of cell proliferation, reduced rate of cell death, or both. | 0 | 2.89 | 4 | 0 |
| Aging The gradual irreversible changes in structure and function of an organism that occur as a result of the passage of time. | 0 | 4.98 | 15 | 0 |
| Injuries, Spinal Cord [description not available] | 0 | 2.08 | 1 | 0 |
| Spinal Cord Injuries Penetrating and non-penetrating injuries to the spinal cord resulting from traumatic external forces (e.g., WOUNDS, GUNSHOT; WHIPLASH INJURIES; etc.). | 0 | 2.08 | 1 | 0 |
| Pancreatic Insufficiency [description not available] | 0 | 2.52 | 2 | 0 |
| Exocrine Pancreatic Insufficiency A malabsorption condition resulting from greater than 10% reduction in the secretion of pancreatic digestive enzymes (LIPASE; PROTEASES; and AMYLASE) by the EXOCRINE PANCREAS into the DUODENUM. This condition is often associated with CYSTIC FIBROSIS and with chronic PANCREATITIS. | 0 | 2.52 | 2 | 0 |
| Dentin Hypersensitivity [description not available] | 0 | 3.47 | 1 | 1 |
| Delayed Hypersensitivity [description not available] | 0 | 2.65 | 3 | 0 |
| Anochlesia [description not available] | 0 | 2.1 | 1 | 0 |
| Hypothermia, Accidental [description not available] | 0 | 2.1 | 1 | 0 |
| Hypothermia Lower than normal body temperature, especially in warm-blooded animals. | 0 | 2.1 | 1 | 0 |
| Insect Bites [description not available] | 0 | 3.48 | 1 | 1 |
| Itching [description not available] | 0 | 3.48 | 1 | 1 |
| Erythema Redness of the skin produced by congestion of the capillaries. This condition may result from a variety of disease processes. | 0 | 3.48 | 1 | 1 |
| Insect Bites and Stings Bites and stings inflicted by insects. | 0 | 3.48 | 1 | 1 |
| Pruritus An intense itching sensation that produces the urge to rub or scratch the skin to obtain relief. | 0 | 3.48 | 1 | 1 |
| Dyskinesia Syndromes [description not available] | 0 | 2.1 | 1 | 0 |
| Movement Disorders Syndromes which feature DYSKINESIAS as a cardinal manifestation of the disease process. Included in this category are degenerative, hereditary, post-infectious, medication-induced, post-inflammatory, and post-traumatic conditions. | 0 | 2.1 | 1 | 0 |
| Adult GM1 Gangliosidosis [description not available] | 0 | 2.1 | 1 | 0 |
| Gangliosidosis, GM1 An autosomal recessive neurodegenerative disorder caused by the absence or deficiency of BETA-GALACTOSIDASE. It is characterized by intralysosomal accumulation of G(M1) GANGLIOSIDE and oligosaccharides, primarily in neurons of the central nervous system. The infantile form is characterized by MUSCLE HYPOTONIA, poor psychomotor development, HIRSUTISM, hepatosplenomegaly, and facial abnormalities. The juvenile form features HYPERACUSIS; SEIZURES; and psychomotor retardation. The adult form features progressive DEMENTIA; ATAXIA; and MUSCLE SPASTICITY. (From Menkes, Textbook of Child Neurology, 5th ed, pp96-7) | 0 | 2.1 | 1 | 0 |
| American Trypanosomiasis [description not available] | 0 | 2.1 | 1 | 0 |
| Chagas Disease Infection with the protozoan parasite TRYPANOSOMA CRUZI, a form of TRYPANOSOMIASIS endemic in Central and South America. It is named after the Brazilian physician Carlos Chagas, who discovered the parasite. Infection by the parasite (positive serologic result only) is distinguished from the clinical manifestations that develop years later, such as destruction of PARASYMPATHETIC GANGLIA; CHAGAS CARDIOMYOPATHY; and dysfunction of the ESOPHAGUS or COLON. | 0 | 2.1 | 1 | 0 |
| Acute Promyelocytic Leukemia [description not available] | 0 | 2.42 | 2 | 0 |
| Leukemia, Promyelocytic, Acute An acute myeloid leukemia in which abnormal PROMYELOCYTES predominate. It is frequently associated with DISSEMINATED INTRAVASCULAR COAGULATION. | 0 | 2.42 | 2 | 0 |
| Colitis Gravis [description not available] | 0 | 2.5 | 2 | 0 |
| Colitis, Granulomatous [description not available] | 0 | 2.74 | 3 | 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 | 2.5 | 2 | 0 |
| Crohn Disease A chronic transmural inflammation that may involve any part of the DIGESTIVE TRACT from MOUTH to ANUS, mostly found in the ILEUM, the CECUM, and the COLON. In Crohn disease, the inflammation, extending through the intestinal wall from the MUCOSA to the serosa, is characteristically asymmetric and segmental. Epithelioid GRANULOMAS may be seen in some patients. | 0 | 2.74 | 3 | 0 |
| Amyloid Angiopathy, Cerebral [description not available] | 0 | 3.14 | 5 | 0 |
| Cerebral Amyloid Angiopathy A heterogeneous group of sporadic or familial disorders characterized by AMYLOID deposits in the walls of small and medium sized blood vessels of CEREBRAL CORTEX and MENINGES. Clinical features include multiple, small lobar CEREBRAL HEMORRHAGE; cerebral ischemia (BRAIN ISCHEMIA); and CEREBRAL INFARCTION. Cerebral amyloid angiopathy is unrelated to generalized AMYLOIDOSIS. Amyloidogenic peptides in this condition are nearly always the same ones found in ALZHEIMER DISEASE. (from Kumar: Robbins and Cotran: Pathologic Basis of Disease, 7th ed., 2005) | 0 | 3.14 | 5 | 0 |
| Disease Exacerbation [description not available] | 0 | 4.23 | 6 | 0 |
| Cirrhosis, Liver [description not available] | 0 | 4 | 5 | 0 |
| Liver Cirrhosis Liver disease in which the normal microcirculation, the gross vascular anatomy, and the hepatic architecture have been variably destroyed and altered with fibrous septa surrounding regenerated or regenerating parenchymal nodules. | 0 | 4 | 5 | 0 |
| Aura [description not available] | 0 | 2.11 | 1 | 0 |
| Epilepsy A disorder characterized by recurrent episodes of paroxysmal brain dysfunction due to a sudden, disorderly, and excessive neuronal discharge. Epilepsy classification systems are generally based upon: (1) clinical features of the seizure episodes (e.g., motor seizure), (2) etiology (e.g., post-traumatic), (3) anatomic site of seizure origin (e.g., frontal lobe seizure), (4) tendency to spread to other structures in the brain, and (5) temporal patterns (e.g., nocturnal epilepsy). (From Adams et al., Principles of Neurology, 6th ed, p313) | 0 | 2.11 | 1 | 0 |
| Hansen Disease [description not available] | 0 | 2.11 | 1 | 0 |
| Leprosy A chronic granulomatous infection caused by MYCOBACTERIUM LEPRAE. The granulomatous lesions are manifested in the skin, the mucous membranes, and the peripheral nerves. Two polar or principal types are lepromatous and tuberculoid. | 0 | 2.11 | 1 | 0 |
| Arthritis, Degenerative [description not available] | 0 | 2.11 | 1 | 0 |
| Osteoarthritis A progressive, degenerative joint disease, the most common form of arthritis, especially in older persons. The disease is thought to result not from the aging process but from biochemical changes and biomechanical stresses affecting articular cartilage. In the foreign literature it is often called osteoarthrosis deformans. | 0 | 2.11 | 1 | 0 |
| Encephalopathy, Toxic [description not available] | 0 | 2.47 | 2 | 0 |
| Acute Brain Injuries [description not available] | 0 | 2.11 | 1 | 0 |
| Carbon Monoxide Poisoning Toxic asphyxiation due to the displacement of oxygen from oxyhemoglobin by carbon monoxide. | 0 | 2.11 | 1 | 0 |
| Brain Injuries Acute and chronic (see also BRAIN INJURIES, CHRONIC) injuries to the brain, including the cerebral hemispheres, CEREBELLUM, and BRAIN STEM. Clinical manifestations depend on the nature of injury. Diffuse trauma to the brain is frequently associated with DIFFUSE AXONAL INJURY or COMA, POST-TRAUMATIC. Localized injuries may be associated with NEUROBEHAVIORAL MANIFESTATIONS; HEMIPARESIS, or other focal neurologic deficits. | 0 | 2.11 | 1 | 0 |
| Onchocerciasis, Ocular Filarial infection of the eyes transmitted from person to person by bites of Onchocerca volvulus-infected black flies. The microfilariae of Onchocerca are thus deposited beneath the skin. They migrate through various tissues including the eye. Those persons infected have impaired vision and up to 20% are blind. The incidence of eye lesions has been reported to be as high as 30% in Central America and parts of Africa. | 0 | 2.11 | 1 | 0 |
| Chronic Illness [description not available] | 0 | 3.07 | 5 | 0 |
| Liver Dysfunction [description not available] | 0 | 2.86 | 4 | 0 |
| Chronic Disease Diseases which have one or more of the following characteristics: they are permanent, leave residual disability, are caused by nonreversible pathological alteration, require special training of the patient for rehabilitation, or may be expected to require a long period of supervision, observation, or care (Dictionary of Health Services Management, 2d ed). For epidemiological studies chronic disease often includes HEART DISEASES; STROKE; CANCER; and diabetes (DIABETES MELLITUS, TYPE 2). | 0 | 3.07 | 5 | 0 |
| Liver Diseases Pathological processes of the LIVER. | 0 | 2.86 | 4 | 0 |
| Amyloidosis A group of sporadic, familial and/or inherited, degenerative, and infectious disease processes, linked by the common theme of abnormal protein folding and deposition of AMYLOID. As the amyloid deposits enlarge they displace normal tissue structures, causing disruption of function. Various signs and symptoms depend on the location and size of the deposits. | 0 | 2.44 | 2 | 0 |
| Acute Myelogenous Leukemia [description not available] | 0 | 2.11 | 1 | 0 |
| Leukemia, Myeloid, Acute Clonal expansion of myeloid blasts in bone marrow, blood, and other tissue. Myeloid leukemias develop from changes in cells that normally produce NEUTROPHILS; BASOPHILS; EOSINOPHILS; and MONOCYTES. | 0 | 2.11 | 1 | 0 |
| Atheroma [description not available] | 0 | 2.11 | 1 | 0 |
| Nerve Degeneration Loss of functional activity and trophic degeneration of nerve axons and their terminal arborizations following the destruction of their cells of origin or interruption of their continuity with these cells. The pathology is characteristic of neurodegenerative diseases. Often the process of nerve degeneration is studied in research on neuroanatomical localization and correlation of the neurophysiology of neural pathways. | 0 | 3.86 | 2 | 0 |
| Depression, Endogenous [description not available] | 0 | 2.13 | 1 | 0 |
| Depressive Disorder An affective disorder manifested by either a dysphoric mood or loss of interest or pleasure in usual activities. The mood disturbance is prominent and relatively persistent. | 0 | 2.13 | 1 | 0 |
| Nerve Pain [description not available] | 0 | 2.78 | 3 | 0 |
| Neuralgia Intense or aching pain that occurs along the course or distribution of a peripheral or cranial nerve. | 0 | 2.78 | 3 | 0 |
| Ureteral Obstruction Blockage in any part of the URETER causing obstruction of urine flow from the kidney to the URINARY BLADDER. The obstruction may be congenital, acquired, unilateral, bilateral, complete, partial, acute, or chronic. Depending on the degree and duration of the obstruction, clinical features vary greatly such as HYDRONEPHROSIS and obstructive nephropathy. | 0 | 2.11 | 1 | 0 |
| Heart Disease, Ischemic [description not available] | 0 | 3.52 | 8 | 0 |
| Myocardial Ischemia A disorder of cardiac function caused by insufficient blood flow to the muscle tissue of the heart. The decreased blood flow may be due to narrowing of the coronary arteries (CORONARY ARTERY DISEASE), to obstruction by a thrombus (CORONARY THROMBOSIS), or less commonly, to diffuse narrowing of arterioles and other small vessels within the heart. Severe interruption of the blood supply to the myocardial tissue may result in necrosis of cardiac muscle (MYOCARDIAL INFARCTION). | 0 | 3.52 | 8 | 0 |
| Bancroftian Elephantiasis [description not available] | 0 | 2.53 | 2 | 0 |
| Elephantiasis, Filarial Parasitic infestation of the human lymphatic system by WUCHERERIA BANCROFTI or BRUGIA MALAYI. It is also called lymphatic filariasis. | 0 | 2.53 | 2 | 0 |
| Carotid Arteriopathies, Traumatic [description not available] | 0 | 2.13 | 1 | 0 |
| Hyperplasia An increase in the number of cells in a tissue or organ without tumor formation. It differs from HYPERTROPHY, which is an increase in bulk without an increase in the number of cells. | 0 | 3.8 | 4 | 0 |
| Starvation Lengthy and continuous deprivation of food. (Stedman, 25th ed) | 0 | 2.46 | 2 | 0 |
| Colitis Inflammation of the COLON section of the large intestine (INTESTINE, LARGE), usually with symptoms such as DIARRHEA (often with blood and mucus), ABDOMINAL PAIN, and FEVER. | 0 | 2.13 | 1 | 0 |
| Diarrhea An increased liquidity or decreased consistency of FECES, such as running stool. Fecal consistency is related to the ratio of water-holding capacity of insoluble solids to total water, rather than the amount of water present. Diarrhea is not hyperdefecation or increased fecal weight. | 0 | 3.87 | 2 | 1 |
| Fatty Liver, Nonalcoholic [description not available] | 0 | 2.13 | 1 | 0 |
| Non-alcoholic Fatty Liver Disease Fatty liver finding without excessive ALCOHOL CONSUMPTION. | 0 | 2.13 | 1 | 0 |
| Cancer of Colon [description not available] | 0 | 3.25 | 6 | 0 |
| Colonic Neoplasms Tumors or cancer of the COLON. | 0 | 3.25 | 6 | 0 |
| Diabetic Angiopathies VASCULAR DISEASES that are associated with DIABETES MELLITUS. | 0 | 2.46 | 2 | 0 |
| Diabetic Glomerulosclerosis [description not available] | 0 | 2.13 | 1 | 0 |
| Diabetic Nephropathies KIDNEY injuries associated with diabetes mellitus and affecting KIDNEY GLOMERULUS; ARTERIOLES; KIDNEY TUBULES; and the interstitium. Clinical signs include persistent PROTEINURIA, from microalbuminuria progressing to ALBUMINURIA of greater than 300 mg/24 h, leading to reduced GLOMERULAR FILTRATION RATE and END-STAGE RENAL DISEASE. | 0 | 2.13 | 1 | 0 |
| Alastrim [description not available] | 0 | 2.13 | 1 | 0 |
| Smallpox An acute, highly contagious, often fatal infectious disease caused by an orthopoxvirus characterized by a biphasic febrile course and distinctive progressive skin eruptions. Vaccination has succeeded in eradicating smallpox worldwide. (Dorland, 28th ed) | 0 | 2.13 | 1 | 0 |
| Abdominal Aortic Aneurysm [description not available] | 0 | 2.49 | 2 | 0 |
| Aneurysm, Aortic [description not available] | 0 | 2.13 | 1 | 0 |
| Aortic Aneurysm An abnormal balloon- or sac-like dilatation in the wall of AORTA. | 0 | 2.13 | 1 | 0 |
| Aortic Aneurysm, Abdominal An abnormal balloon- or sac-like dilatation in the wall of the ABDOMINAL AORTA which gives rise to the visceral, the parietal, and the terminal (iliac) branches below the aortic hiatus at the diaphragm. | 0 | 2.49 | 2 | 0 |
| Injuries Used with anatomic headings, animals, and sports for wounds and injuries. Excludes cell damage, for which pathology is used. | 0 | 2.39 | 2 | 0 |
| Wounds and Injuries Damage inflicted on the body as the direct or indirect result of an external force, with or without disruption of structural continuity. | 0 | 2.39 | 2 | 0 |
| Coronary Heart Disease [description not available] | 0 | 2.87 | 4 | 0 |
| Coronary Disease An imbalance between myocardial functional requirements and the capacity of the CORONARY VESSELS to supply sufficient blood flow. It is a form of MYOCARDIAL ISCHEMIA (insufficient blood supply to the heart muscle) caused by a decreased capacity of the coronary vessels. | 0 | 2.87 | 4 | 0 |
| Adenocarcinoma Of Kidney [description not available] | 0 | 2.13 | 1 | 0 |
| Cancer of Kidney [description not available] | 0 | 4.07 | 3 | 0 |
| Carcinoma, Renal Cell A heterogeneous group of sporadic or hereditary carcinoma derived from cells of the KIDNEYS. There are several subtypes including the clear cells, the papillary, the chromophobe, the collecting duct, the spindle cells (sarcomatoid), or mixed cell-type carcinoma. | 0 | 2.13 | 1 | 0 |
| Kidney Neoplasms Tumors or cancers of the KIDNEY. | 0 | 4.07 | 3 | 0 |
| Asthma, Bronchial [description not available] | 0 | 2.15 | 1 | 0 |
| Asthma A form of bronchial disorder with three distinct components: airway hyper-responsiveness (RESPIRATORY HYPERSENSITIVITY), airway INFLAMMATION, and intermittent AIRWAY OBSTRUCTION. It is characterized by spasmodic contraction of airway smooth muscle, WHEEZING, and dyspnea (DYSPNEA, PAROXYSMAL). | 0 | 2.15 | 1 | 0 |
| Cardiovascular Diseases Pathological conditions involving the CARDIOVASCULAR SYSTEM including the HEART; the BLOOD VESSELS; or the PERICARDIUM. | 0 | 2.72 | 3 | 0 |
| Complications of Diabetes Mellitus [description not available] | 0 | 2.48 | 2 | 0 |
| Granulocytic Leukemia, Chronic [description not available] | 0 | 2.17 | 1 | 0 |
| Leukemia, Myelogenous, Chronic, BCR-ABL Positive Clonal hematopoetic disorder caused by an acquired genetic defect in PLURIPOTENT STEM CELLS. It starts in MYELOID CELLS of the bone marrow, invades the blood and then other organs. The condition progresses from a stable, more indolent, chronic phase (LEUKEMIA, MYELOID, CHRONIC PHASE) lasting up to 7 years, to an advanced phase composed of an accelerated phase (LEUKEMIA, MYELOID, ACCELERATED PHASE) and BLAST CRISIS. | 0 | 2.17 | 1 | 0 |
| Rhabdoid Tumor A rare but highly lethal childhood tumor found almost exclusively in infants. Histopathologically, it resembles RHABDOMYOSARCOMA but the tumor cells are not of myogenic origin. Although it arises primarily in the kidney, it may be found in other parts of the body. The rhabdoid cytomorphology is believed to be the expression of a very primitive malignant cell. (From Holland et al., Cancer Medicine, 3d ed, p2210) | 0 | 2.04 | 1 | 0 |
| Degenerative Diseases, Central Nervous System [description not available] | 0 | 4.13 | 3 | 0 |
| Neurodegenerative Diseases Hereditary and sporadic conditions which are characterized by progressive nervous system dysfunction. These disorders are often associated with atrophy of the affected central or peripheral nervous system structures. | 0 | 9.13 | 3 | 0 |
| Nervous System Disorders [description not available] | 0 | 4.27 | 4 | 0 |
| Nervous System Diseases Diseases of the central and peripheral nervous system. This includes disorders of the brain, spinal cord, cranial nerves, peripheral nerves, nerve roots, autonomic nervous system, neuromuscular junction, and muscle. | 0 | 4.27 | 4 | 0 |
| Koch's Disease [description not available] | 0 | 2.04 | 1 | 0 |
| Tuberculosis Any of the infectious diseases of man and other animals caused by species of MYCOBACTERIUM TUBERCULOSIS. | 0 | 2.04 | 1 | 0 |
| Lymph Node Metastasis [description not available] | 0 | 2.44 | 2 | 0 |
| Germinoblastoma [description not available] | 0 | 2.41 | 2 | 0 |
| Lymphoma A general term for various neoplastic diseases of the lymphoid tissue. | 0 | 2.41 | 2 | 0 |
| Bone Cancer [description not available] | 0 | 2.68 | 3 | 0 |
| Osteogenic Sarcoma [description not available] | 0 | 2.72 | 3 | 0 |
| Bone Neoplasms Tumors or cancer located in bone tissue or specific BONES. | 0 | 2.68 | 3 | 0 |
| Osteosarcoma A sarcoma originating in bone-forming cells, affecting the ends of long bones. It is the most common and most malignant of sarcomas of the bones, and occurs chiefly among 10- to 25-year-old youths. (From Stedman, 25th ed) | 0 | 2.72 | 3 | 0 |
| Halitosis An offensive, foul breath odor resulting from a variety of causes such as poor oral hygiene, dental or oral infections, or the ingestion of certain foods. | 0 | 2.05 | 1 | 0 |
| Chronic Hepatitis [description not available] | 0 | 2.04 | 1 | 0 |
| Hepatitis, Chronic INFLAMMATION of the LIVER with ongoing hepatocellular injury for 6 months or more, characterized by NECROSIS of HEPATOCYTES and inflammatory cell (LEUKOCYTES) infiltration. Chronic hepatitis can be caused by viruses, medications, autoimmune diseases, and other unknown factors. | 0 | 2.04 | 1 | 0 |
| Adhesions, Tissue [description not available] | 0 | 3.35 | 2 | 0 |
| Fibroid [description not available] | 0 | 2.05 | 1 | 0 |
| Blood Loss, Surgical Loss of blood during a surgical procedure. | 0 | 2.05 | 1 | 0 |
| Leiomyoma A benign tumor derived from smooth muscle tissue, also known as a fibroid tumor. They rarely occur outside of the UTERUS and the GASTROINTESTINAL TRACT but can occur in the SKIN and SUBCUTANEOUS TISSUE, probably arising from the smooth muscle of small blood vessels in these tissues. | 0 | 2.05 | 1 | 0 |
| HIV Human immunodeficiency virus. A non-taxonomic and historical term referring to any of two species, specifically HIV-1 and/or HIV-2. Prior to 1986, this was called human T-lymphotropic virus type III/lymphadenopathy-associated virus (HTLV-III/LAV). From 1986-1990, it was an official species called HIV. Since 1991, HIV was no longer considered an official species name; the two species were designated HIV-1 and HIV-2. | 0 | 2.72 | 3 | 0 |
| Acute Edematous Pancreatitis [description not available] | 0 | 2.94 | 4 | 0 |
| Pancreatitis INFLAMMATION of the PANCREAS. Pancreatitis is classified as acute unless there are computed tomographic or endoscopic retrograde cholangiopancreatographic findings of CHRONIC PANCREATITIS (International Symposium on Acute Pancreatitis, Atlanta, 1992). The two most common forms of acute pancreatitis are ALCOHOLIC PANCREATITIS and gallstone pancreatitis. | 0 | 2.94 | 4 | 0 |
| Colitis, Mucous [description not available] | 0 | 3.43 | 1 | 1 |
| Irritable Bowel Syndrome A disorder with chronic or recurrent colonic symptoms without a clearcut etiology. This condition is characterized by chronic or recurrent ABDOMINAL PAIN, bloating, MUCUS in FECES, and an erratic disturbance of DEFECATION. | 0 | 3.43 | 1 | 1 |
| Liver Steatosis [description not available] | 0 | 2.65 | 3 | 0 |
| Fatty Liver Lipid infiltration of the hepatic parenchymal cells resulting in a yellow-colored liver. The abnormal lipid accumulation is usually in the form of TRIGLYCERIDES, either as a single large droplet or multiple small droplets. Fatty liver is caused by an imbalance in the metabolism of FATTY ACIDS. | 0 | 2.65 | 3 | 0 |
| Histomoniasis [description not available] | 0 | 2.96 | 1 | 0 |
| Burns, Chemical Burns caused by contact with or exposure to CAUSTICS or strong ACIDS. | 0 | 2.07 | 1 | 0 |
| Frostbite Damage to tissues as the result of low environmental temperatures. | 0 | 2.07 | 1 | 0 |
| Muscle Contraction A process leading to shortening and/or development of tension in muscle tissue. Muscle contraction occurs by a sliding filament mechanism whereby actin filaments slide inward among the myosin filaments. | 0 | 3.47 | 8 | 0 |
| Chronic Primary Open Angle Glaucoma [description not available] | 0 | 3.44 | 1 | 1 |
| Glaucoma, Open-Angle Glaucoma in which the angle of the anterior chamber is open and the trabecular meshwork does not encroach on the base of the iris. | 0 | 3.44 | 1 | 1 |
| Intraocular Pressure The pressure of the fluids in the eye. | 0 | 3.44 | 1 | 1 |
| Ache [description not available] | 0 | 5.9 | 9 | 3 |
| Pain An unpleasant sensation induced by noxious stimuli which are detected by NERVE ENDINGS of NOCICEPTIVE NEURONS. | 0 | 5.9 | 9 | 3 |
| Neuromuscular Blockade The intentional interruption of transmission at the NEUROMUSCULAR JUNCTION by external agents, usually neuromuscular blocking agents. It is distinguished from NERVE BLOCK in which nerve conduction (NEURAL CONDUCTION) is interrupted rather than neuromuscular transmission. Neuromuscular blockade is commonly used to produce MUSCLE RELAXATION as an adjunct to anesthesia during surgery and other medical procedures. It is also often used as an experimental manipulation in basic research. It is not strictly speaking anesthesia but is grouped here with anesthetic techniques. The failure of neuromuscular transmission as a result of pathological processes is not included here. | 0 | 2.97 | 1 | 0 |
| Pulmonary Hypertension [description not available] | 0 | 2.94 | 4 | 0 |
| Group A Strep Infection [description not available] | 0 | 2.44 | 2 | 0 |
| Hypertension, Pulmonary Increased VASCULAR RESISTANCE in the PULMONARY CIRCULATION, usually secondary to HEART DISEASES or LUNG DISEASES. | 0 | 2.94 | 4 | 0 |
| Streptococcal Infections Infections with bacteria of the genus STREPTOCOCCUS. | 0 | 2.44 | 2 | 0 |
| Disease A definite pathologic process with a characteristic set of signs and symptoms. It may affect the whole body or any of its parts, and its etiology, pathology, and prognosis may be known or unknown. | 0 | 2.05 | 1 | 0 |
| Acetonemia [description not available] | 0 | 2.06 | 1 | 0 |
| African Lymphoma [description not available] | 0 | 2.06 | 1 | 0 |
| Burkitt Lymphoma A form of undifferentiated malignant LYMPHOMA usually found in central Africa, but also reported in other parts of the world. It is commonly manifested as a large osteolytic lesion in the jaw or as an abdominal mass. B-cell antigens are expressed on the immature cells that make up the tumor in virtually all cases of Burkitt lymphoma. The Epstein-Barr virus (HERPESVIRUS 4, HUMAN) has been isolated from Burkitt lymphoma cases in Africa and it is implicated as the causative agent in these cases; however, most non-African cases are EBV-negative. | 0 | 2.06 | 1 | 0 |
| Disease Resistance The capacity of an organism to defend itself against pathological processes or the agents of those processes. This most often involves innate immunity whereby the organism responds to pathogens in a generic way. The term disease resistance is used most frequently when referring to plants. | 0 | 2.98 | 1 | 0 |
| Brain Hemorrhage, Cerebral [description not available] | 0 | 2.06 | 1 | 0 |
| Cerebral Malaria [description not available] | 0 | 2.74 | 3 | 0 |
| Cerebral Hemorrhage Bleeding into one or both CEREBRAL HEMISPHERES including the BASAL GANGLIA and the CEREBRAL CORTEX. It is often associated with HYPERTENSION and CRANIOCEREBRAL TRAUMA. | 0 | 2.06 | 1 | 0 |
| Aggression Behavior which may be manifested by destructive and attacking action which is verbal or physical, by covert attitudes of hostility or by obstructionism. | 0 | 2.46 | 2 | 0 |
| Acute Lymphoid Leukemia [description not available] | 0 | 2.06 | 1 | 0 |
| Precursor Cell Lymphoblastic Leukemia-Lymphoma A neoplasm characterized by abnormalities of the lymphoid cell precursors leading to excessive lymphoblasts in the marrow and other organs. It is the most common cancer in children and accounts for the vast majority of all childhood leukemias. | 0 | 2.06 | 1 | 0 |
| Allergic Contact Dermatitis [description not available] | 0 | 3.4 | 7 | 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 | 3.4 | 7 | 0 |
| Occupational Injuries Injuries sustained from incidents in the course of work-related activities. | 0 | 2.98 | 1 | 0 |
| Bleb [description not available] | 0 | 2.98 | 1 | 0 |
| Alcohol Drinking Behaviors associated with the ingesting of ALCOHOLIC BEVERAGES, including social drinking. | 0 | 2.06 | 1 | 0 |
| Colorectal Cancer [description not available] | 0 | 6.12 | 6 | 2 |
| Colorectal Neoplasms Tumors or cancer of the COLON or the RECTUM or both. Risk factors for colorectal cancer include chronic ULCERATIVE COLITIS; FAMILIAL POLYPOSIS COLI; exposure to ASBESTOS; and irradiation of the CERVIX UTERI. | 0 | 6.12 | 6 | 2 |
| Foreign-Body Reaction Chronic inflammation and granuloma formation around irritating foreign bodies. | 0 | 2.38 | 2 | 0 |
| Enterocele An intestinal HERNIA. | 0 | 2.38 | 2 | 0 |
| Hernia Protrusion of tissue, structure, or part of an organ through the bone, muscular tissue, or the membrane by which it is normally contained. Hernia may involve tissues such as the ABDOMINAL WALL or the respiratory DIAPHRAGM. Hernias may be internal, external, congenital, or acquired. | 0 | 2.38 | 2 | 0 |
| Lysosomal Enzyme Disorders [description not available] | 0 | 2.06 | 1 | 0 |
| Recrudescence [description not available] | 0 | 2.38 | 2 | 0 |
| Inguinal Hernia [description not available] | 0 | 2.43 | 2 | 0 |
| Abdominal Hernia [description not available] | 0 | 2.06 | 1 | 0 |
| Hernia, Inguinal An abdominal hernia with an external bulge in the GROIN region. It can be classified by the location of herniation. Indirect inguinal hernias occur through the internal inguinal ring. Direct inguinal hernias occur through defects in the ABDOMINAL WALL (transversalis fascia) in Hesselbach's triangle. The former type is commonly seen in children and young adults; the latter in adults. | 0 | 2.43 | 2 | 0 |
| Cancer of Cervix [description not available] | 0 | 2.45 | 2 | 0 |
| Uterine Cervical Neoplasms Tumors or cancer of the UTERINE CERVIX. | 0 | 2.45 | 2 | 0 |
| Yellow Fever An acute infectious disease primarily of the tropics, caused by a virus and transmitted to man by mosquitoes of the genera Aedes and Haemagogus. The severe form is characterized by fever, HEMOLYTIC JAUNDICE, and renal damage. | 0 | 2.06 | 1 | 0 |
| Infections, Staphylococcal [description not available] | 0 | 2.89 | 4 | 0 |
| Staphylococcal Infections Infections with bacteria of the genus STAPHYLOCOCCUS. | 0 | 2.89 | 4 | 0 |
| Acariasis [description not available] | 0 | 2.44 | 2 | 0 |
| Carcinoma, Anaplastic [description not available] | 0 | 5.65 | 7 | 1 |
| Carcinoma A malignant neoplasm made up of epithelial cells tending to infiltrate the surrounding tissues and give rise to metastases. It is a histological type of neoplasm and not a synonym for cancer. | 0 | 5.65 | 7 | 1 |
| Allodynia [description not available] | 0 | 2.07 | 1 | 0 |
| Enlarged Liver [description not available] | 0 | 2.07 | 1 | 0 |
| Facial Dermatoses Skin diseases involving the FACE. | 0 | 2.43 | 2 | 0 |
| African Sleeping Sickness [description not available] | 0 | 2.08 | 1 | 0 |
| Trypanosomiasis, African A disease endemic among people and animals in Central Africa. It is caused by various species of trypanosomes, particularly T. gambiense and T. rhodesiense. Its second host is the TSETSE FLY. Involvement of the central nervous system produces African sleeping sickness. Nagana is a rapidly fatal trypanosomiasis of horses and other animals. | 0 | 2.08 | 1 | 0 |
| Entomophthoramycosis [description not available] | 0 | 2.01 | 1 | 0 |
| Zygomycosis Infection in humans and animals caused by fungi in the class Zygomycetes. It includes MUCORMYCOSIS and entomophthoramycosis. The latter is a tropical infection of subcutaneous tissue or paranasal sinuses caused by fungi in the order Entomophthorales. Phycomycosis, closely related to zygomycosis, describes infection with members of Phycomycetes, an obsolete classification. | 0 | 2.01 | 1 | 0 |
| Urinary Incontinence, Stress Involuntary discharge of URINE as a result of physical activities that increase abdominal pressure on the URINARY BLADDER without detrusor contraction or overdistended bladder. The subtypes are classified by the degree of leakage, descent and opening of the bladder neck and URETHRA without bladder contraction, and sphincter deficiency. | 0 | 2.9 | 4 | 0 |
| Ischemia A hypoperfusion of the BLOOD through an organ or tissue caused by a PATHOLOGIC CONSTRICTION or obstruction of its BLOOD VESSELS, or an absence of BLOOD CIRCULATION. | 0 | 4.83 | 4 | 2 |
| Acute Respiratory Distress Syndrome [description not available] | 0 | 2.01 | 1 | 0 |
| Respiratory Distress Syndrome A syndrome characterized by progressive life-threatening RESPIRATORY INSUFFICIENCY in the absence of known LUNG DISEASES, usually following a systemic insult such as surgery or major TRAUMA. | 0 | 2.01 | 1 | 0 |
| Rhabdomyolysis Necrosis or disintegration of skeletal muscle often followed by myoglobinuria. | 0 | 2.01 | 1 | 0 |
| Actinic Reticuloid Syndrome [description not available] | 0 | 2.01 | 1 | 0 |
| Carcinoma, Non-Small Cell Lung [description not available] | 0 | 4.31 | 4 | 1 |
| Carcinoma, Non-Small-Cell Lung A heterogeneous aggregate of at least three distinct histological types of lung cancer, including SQUAMOUS CELL CARCINOMA; ADENOCARCINOMA; and LARGE CELL CARCINOMA. They are dealt with collectively because of their shared treatment strategy. | 0 | 4.31 | 4 | 1 |
| Poisoning Used with drugs, chemicals, and industrial materials for human or animal poisoning, acute or chronic, whether the poisoning is accidental, occupational, suicidal, by medication error, or by environmental exposure. | 0 | 3.04 | 5 | 0 |
| Eye Disorders [description not available] | 0 | 2.35 | 2 | 0 |
| Dermatoses [description not available] | 0 | 1.93 | 1 | 0 |
| Eye Diseases Diseases affecting the eye. | 0 | 2.35 | 2 | 0 |
| Skin Diseases Diseases involving the DERMIS or EPIDERMIS. | 0 | 1.93 | 1 | 0 |
| Experimental Neoplasms [description not available] | 0 | 6.25 | 20 | 0 |
| EHS Tumor [description not available] | 0 | 1.93 | 1 | 0 |
| Sarcoma 37 An experimental sarcoma of mice. | 0 | 1.93 | 1 | 0 |
| Cough A sudden, audible expulsion of air from the lungs through a partially closed glottis, preceded by inhalation. It is a protective response that serves to clear the trachea, bronchi, and/or lungs of irritants and secretions, or to prevent aspiration of foreign materials into the lungs. | 0 | 1.93 | 1 | 0 |
| Giardia duodenalis Infection [description not available] | 0 | 2.84 | 4 | 0 |
| Giardiasis An infection of the SMALL INTESTINE caused by the flagellated protozoan GIARDIA. It is spread via contaminated food and water and by direct person-to-person contact. | 0 | 2.84 | 4 | 0 |
| Ventricular Fibrillation A potentially lethal cardiac arrhythmia that is characterized by uncoordinated extremely rapid firing of electrical impulses (400-600/min) in HEART VENTRICLES. Such asynchronous ventricular quivering or fibrillation prevents any effective cardiac output and results in unconsciousness (SYNCOPE). It is one of the major electrocardiographic patterns seen with CARDIAC ARREST. | 0 | 2.34 | 2 | 0 |
| Hyperthyroid [description not available] | 0 | 1.93 | 1 | 0 |
| Hyperthyroidism Hypersecretion of THYROID HORMONES from the THYROID GLAND. Elevated levels of thyroid hormones increase BASAL METABOLIC RATE. | 0 | 1.93 | 1 | 0 |
| Thyrotoxicosis A hypermetabolic syndrome caused by excess THYROID HORMONES which may come from endogenous or exogenous sources. The endogenous source of hormone may be thyroid HYPERPLASIA; THYROID NEOPLASMS; or hormone-producing extrathyroidal tissue. Thyrotoxicosis is characterized by NERVOUSNESS; TACHYCARDIA; FATIGUE; WEIGHT LOSS; heat intolerance; and excessive SWEATING. | 0 | 1.93 | 1 | 0 |
| Ascites Accumulation or retention of free fluid within the peritoneal cavity. | 0 | 1.93 | 1 | 0 |
| Delirium of Mixed Origin [description not available] | 0 | 1.93 | 1 | 0 |
| Delirium A disorder characterized by CONFUSION; inattentiveness; disorientation; ILLUSIONS; HALLUCINATIONS; agitation; and in some instances autonomic nervous system overactivity. It may result from toxic/metabolic conditions or structural brain lesions. (From Adams et al., Principles of Neurology, 6th ed, pp411-2) | 0 | 1.93 | 1 | 0 |
| Leukocytosis A transient increase in the number of leukocytes in a body fluid. | 0 | 1.93 | 1 | 0 |
| Blood Pressure, Low [description not available] | 0 | 1.93 | 1 | 0 |
| Hypotension, Postural [description not available] | 0 | 1.93 | 1 | 0 |
| Hypotension Abnormally low BLOOD PRESSURE that can result in inadequate blood flow to the brain and other vital organs. Common symptom is DIZZINESS but greater negative impacts on the body occur when there is prolonged depravation of oxygen and nutrients. | 0 | 1.93 | 1 | 0 |
| Hypotension, Orthostatic A significant drop in BLOOD PRESSURE after assuming a standing position. Orthostatic hypotension is a finding, and defined as a 20-mm Hg decrease in systolic pressure or a 10-mm Hg decrease in diastolic pressure 3 minutes after the person has risen from supine to standing. Symptoms generally include DIZZINESS, blurred vision, and SYNCOPE. | 0 | 1.93 | 1 | 0 |
| Silicosis A form of pneumoconiosis resulting from inhalation of dust containing crystalline form of SILICON DIOXIDE, usually in the form of quartz. Amorphous silica is relatively nontoxic. | 0 | 1.93 | 1 | 0 |
| Angor Pectoris [description not available] | 0 | 1.93 | 1 | 0 |
| Angina Pectoris The symptom of paroxysmal pain consequent to MYOCARDIAL ISCHEMIA usually of distinctive character, location and radiation. It is thought to be provoked by a transient stressful situation during which the oxygen requirements of the MYOCARDIUM exceed that supplied by the CORONARY CIRCULATION. | 0 | 1.93 | 1 | 0 |
| Acute Rheumatic Fever [description not available] | 0 | 1.93 | 1 | 0 |
| Cholera Infantum [description not available] | 0 | 4.32 | 2 | 2 |
| Empyema, Gall Bladder [description not available] | 0 | 2.34 | 2 | 0 |
| Cholecystitis Inflammation of the GALLBLADDER; generally caused by impairment of BILE flow, GALLSTONES in the BILIARY TRACT, infections, or other diseases. | 0 | 2.34 | 2 | 0 |
| Biliary Tract Diseases Diseases in any part of the BILIARY TRACT including the BILE DUCTS and the GALLBLADDER. | 0 | 1.93 | 1 | 0 |
| Ventral Hernia [description not available] | 0 | 2.93 | 1 | 0 |
| Hernia, Ventral A hernia caused by weakness of the anterior ABDOMINAL WALL due to midline defects, previous incisions, or increased intra-abdominal pressure. Ventral hernias include UMBILICAL HERNIA, incisional, epigastric, and spigelian hernias. | 0 | 2.93 | 1 | 0 |
| Rida [description not available] | 0 | 2.02 | 1 | 0 |
| Dementias, Transmissible [description not available] | 0 | 2.02 | 1 | 0 |
| Leukemic Infiltration A pathologic change in leukemia in which leukemic cells permeate various organs at any stage of the disease. All types of leukemia show various degrees of infiltration, depending upon the type of leukemia. The degree of infiltration may vary from site to site. The liver and spleen are common sites of infiltration, the greatest appearing in myelocytic leukemia, but infiltration is seen also in the granulocytic and lymphocytic types. The kidney is also a common site and of the gastrointestinal system, the stomach and ileum are commonly involved. In lymphocytic leukemia the skin is often infiltrated. The central nervous system too is a common site. | 0 | 2.02 | 1 | 0 |
| Experimental Leukemia [description not available] | 0 | 2.65 | 3 | 0 |
| Weight Reduction [description not available] | 0 | 2.02 | 1 | 0 |
| Weight Loss Decrease in existing BODY WEIGHT. | 0 | 2.02 | 1 | 0 |
| Leukemia P388 An experimental lymphocytic leukemia originally induced in DBA/2 mice by painting with methylcholanthrene. | 0 | 3.1 | 5 | 0 |
| Proliferative Vitreoretinopathy [description not available] | 0 | 2.94 | 1 | 0 |
| Epiretinal Membrane A membrane on the vitreal surface of the retina resulting from the proliferation of one or more of three retinal elements: (1) fibrous astrocytes; (2) fibrocytes; and (3) RETINAL PIGMENT EPITHELIUM. Localized epiretinal membranes may occur at the posterior pole of the eye without clinical signs or may cause marked loss of vision as a result of covering, distorting, or detaching the FOVEA CENTRALIS. Epiretinal membranes may cause vascular leakage and secondary retinal edema. In younger individuals some membranes appear to be developmental in origin and occur in otherwise normal eyes. The majority occur in association with RETINAL HOLES, ocular concussions, retinal inflammation, or after ocular surgery. (Newell, Ophthalmology: Principles and Concepts, 7th ed, p291) | 0 | 2.94 | 1 | 0 |
| Retinal Pigment Epithelial Detachment [description not available] | 0 | 2.94 | 1 | 0 |
| Retinal Detachment Separation of the inner layers of the retina (neural retina) from the pigment epithelium. Retinal detachment occurs more commonly in men than in women, in eyes with degenerative myopia, in aging and in aphakia. It may occur after an uncomplicated cataract extraction, but it is seen more often if vitreous humor has been lost during surgery. (Dorland, 27th ed; Newell, Ophthalmology: Principles and Concepts, 7th ed, p310-12). | 0 | 2.94 | 1 | 0 |
| Vitreoretinopathy, Proliferative Vitreoretinal membrane shrinkage or contraction secondary to the proliferation of primarily retinal pigment epithelial cells and glial cells, particularly fibrous astrocytes, followed by membrane formation. The formation of fibrillar collagen and cellular proliferation appear to be the basis for the contractile properties of the epiretinal and vitreous membranes. | 0 | 2.94 | 1 | 0 |
| Candida Infection [description not available] | 0 | 4.27 | 4 | 1 |
| Candidiasis Infection with a fungus of the genus CANDIDA. It is usually a superficial infection of the moist areas of the body and is generally caused by CANDIDA ALBICANS. (Dorland, 27th ed) | 0 | 4.27 | 4 | 1 |
| Coronary Thrombosis Coagulation of blood in any of the CORONARY VESSELS. The presence of a blood clot (THROMBUS) often leads to MYOCARDIAL INFARCTION. | 0 | 2.94 | 1 | 0 |
| B-Cell Lymphoma [description not available] | 0 | 2.03 | 1 | 0 |
| Diffuse Large B-Cell Lymphoma [description not available] | 0 | 2.03 | 1 | 0 |
| Lymphoma, B-Cell A group of heterogeneous lymphoid tumors generally expressing one or more B-cell antigens or representing malignant transformations of B-lymphocytes. | 0 | 2.03 | 1 | 0 |
| Lymphoma, Large B-Cell, Diffuse Malignant lymphoma composed of large B lymphoid cells whose nuclear size can exceed normal macrophage nuclei, or more than twice the size of a normal lymphocyte. The pattern is predominantly diffuse. Most of these lymphomas represent the malignant counterpart of B-lymphocytes at midstage in the process of differentiation. | 0 | 2.03 | 1 | 0 |
| Anemia, Hemolytic, Acquired [description not available] | 0 | 2.02 | 1 | 0 |
| Anemia, Hemolytic A condition of inadequate circulating red blood cells (ANEMIA) or insufficient HEMOGLOBIN due to premature destruction of red blood cells (ERYTHROCYTES). | 0 | 2.02 | 1 | 0 |
| Blood Pressure, High [description not available] | 0 | 3.82 | 2 | 1 |
| Hypertension Persistently high systemic arterial BLOOD PRESSURE. Based on multiple readings (BLOOD PRESSURE DETERMINATION), hypertension is currently defined as when SYSTOLIC PRESSURE is consistently greater than 140 mm Hg or when DIASTOLIC PRESSURE is consistently 90 mm Hg or more. | 0 | 3.82 | 2 | 1 |
| Leukemia L 1210 [description not available] | 0 | 3.91 | 13 | 0 |
| Abscess Accumulation of purulent material in tissues, organs, or circumscribed spaces, usually associated with signs of infection. | 0 | 2.03 | 1 | 0 |
| Vaginal Diseases Pathological processes of the VAGINA. | 0 | 2.03 | 1 | 0 |
| Sarcoma 180 An experimental sarcoma of mice. | 0 | 3.34 | 7 | 0 |
| T-Cell Lymphoma [description not available] | 0 | 2.04 | 1 | 0 |
| Lymphoma, T-Cell A group of heterogeneous lymphoid tumors representing malignant transformations of T-lymphocytes. | 0 | 2.04 | 1 | 0 |
| Acute Necrotizing Pancreatitis [description not available] | 0 | 2.03 | 1 | 0 |
| Cytomegalovirus A genus of the family HERPESVIRIDAE, subfamily BETAHERPESVIRINAE, infecting the salivary glands, liver, spleen, lungs, eyes, and other organs, in which they produce characteristically enlarged cells with intranuclear inclusions. Infection with Cytomegalovirus is also seen as an opportunistic infection in AIDS. | 0 | 2.03 | 1 | 0 |
| Kidney Diseases Pathological processes of the KIDNEY or its component tissues. | 0 | 3.99 | 5 | 0 |
| Deficiency, Vitamin B [description not available] | 0 | 1.94 | 1 | 0 |
| Vitamin B Deficiency A condition due to deficiency in any member of the VITAMIN B COMPLEX. These B vitamins are water-soluble and must be obtained from the diet because they are easily lost in the urine. Unlike the lipid-soluble vitamins, they cannot be stored in the body fat. | 0 | 1.94 | 1 | 0 |
| Mast-Cell Sarcoma A unifocal malignant tumor that consists of atypical pathological MAST CELLS without systemic involvement. It causes local destructive growth in organs other than in skin or bone marrow. | 0 | 1.95 | 1 | 0 |
| Angioma A vascular anomaly due to proliferation of blood or lymphatic vessels that forms a tumor-like mass. Vessels in the angioma may or may not be dilated. | 0 | 1.96 | 1 | 0 |
| Experimental Hepatoma [description not available] | 0 | 1.96 | 1 | 0 |
| Cancer of the Thyroid [description not available] | 0 | 1.96 | 1 | 0 |
| Hemangioma A vascular anomaly due to proliferation of BLOOD VESSELS that forms a tumor-like mass. The common types involve CAPILLARIES and VEINS. It can occur anywhere in the body but is most frequently noticed in the SKIN and SUBCUTANEOUS TISSUE. (from Stedman, 27th ed, 2000) | 0 | 1.96 | 1 | 0 |
| Thyroid Neoplasms Tumors or cancer of the THYROID GLAND. | 0 | 1.96 | 1 | 0 |
| Centriacinar Emphysema [description not available] | 0 | 1.96 | 1 | 0 |
| Experimental Mammary Neoplasms [description not available] | 0 | 3.98 | 14 | 0 |
| Carcinoma, Epidermoid [description not available] | 0 | 2.87 | 4 | 0 |
| Cancer of Skin [description not available] | 0 | 3.2 | 6 | 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 | 2.87 | 4 | 0 |
| Skin Neoplasms Tumors or cancer of the SKIN. | 0 | 3.2 | 6 | 0 |
| Acid Aspiration Syndrome [description not available] | 0 | 1.96 | 1 | 0 |
| Pneumonia, Aspiration A type of lung inflammation resulting from the aspiration of food, liquid, or gastric contents into the upper RESPIRATORY TRACT. | 0 | 1.96 | 1 | 0 |
| Diseases, Occupational [description not available] | 0 | 4.81 | 13 | 0 |
| Infection, Postoperative Wound [description not available] | 0 | 2.86 | 4 | 0 |
| Weight Gain Increase in BODY WEIGHT over existing weight. | 0 | 2.39 | 2 | 0 |
| Leucocythaemia [description not available] | 0 | 3.09 | 5 | 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 | 3.09 | 5 | 0 |
| Aneuploid [description not available] | 0 | 6.99 | 1 | 0 |
| Injuries, Soft Tissue [description not available] | 0 | 1.99 | 1 | 0 |
| Facial Injuries General or unspecified injuries to the soft tissue or bony portions of the face. | 0 | 1.99 | 1 | 0 |
| Wounds, Penetrating Wounds caused by objects penetrating the skin. | 0 | 1.99 | 1 | 0 |
| Leiomyosarcoma, Epithelioid [description not available] | 0 | 2.91 | 1 | 0 |
| Polyps Discrete abnormal tissue masses that protrude into the lumen of the DIGESTIVE TRACT or the RESPIRATORY TRACT. Polyps can be spheroidal, hemispheroidal, or irregular mound-shaped structures attached to the MUCOUS MEMBRANE of the lumen wall either by a stalk, pedunculus, or by a broad base. | 0 | 2.91 | 1 | 0 |
| Cancer, Second Primary [description not available] | 0 | 2.91 | 1 | 0 |
| Cancer of Endometrium [description not available] | 0 | 2.91 | 1 | 0 |
| Hormone-Dependent Neoplasms [description not available] | 0 | 3.3 | 2 | 0 |
| Leiomyosarcoma A sarcoma containing large spindle cells of smooth muscle. Although it rarely occurs in soft tissue, it is common in the viscera. It is the most common soft tissue sarcoma of the gastrointestinal tract and uterus. The median age of patients is 60 years. (From Dorland, 27th ed; Holland et al., Cancer Medicine, 3d ed, p1865) | 0 | 2.91 | 1 | 0 |
| Menopause The last menstrual period. Permanent cessation of menses (MENSTRUATION) is usually defined after 6 to 12 months of AMENORRHEA in a woman over 45 years of age. In the United States, menopause generally occurs in women between 48 and 55 years of age. | 0 | 4.67 | 2 | 1 |
| Endometrial Neoplasms Tumors or cancer of ENDOMETRIUM, the mucous lining of the UTERUS. These neoplasms can be benign or malignant. Their classification and grading are based on the various cell types and the percent of undifferentiated cells. | 0 | 2.91 | 1 | 0 |
| Arteriosclerosis Thickening and loss of elasticity of the walls of ARTERIES of all sizes. There are many forms classified by the types of lesions and arteries involved, such as ATHEROSCLEROSIS with fatty lesions in the ARTERIAL INTIMA of medium and large muscular arteries. | 0 | 4.72 | 7 | 0 |
| Calcification, Pathologic [description not available] | 0 | 1.99 | 1 | 0 |
| Prosthesis Durability [description not available] | 0 | 1.99 | 1 | 0 |
| Calcinosis Pathologic deposition of calcium salts in tissues. | 0 | 1.99 | 1 | 0 |
| Carcinoma, Oat Cell [description not available] | 0 | 3.78 | 2 | 1 |
| Carcinoma, Small Cell An anaplastic, highly malignant, and usually bronchogenic carcinoma composed of small ovoid cells with scanty neoplasm. It is characterized by a dominant, deeply basophilic nucleus, and absent or indistinct nucleoli. (From Stedman, 25th ed; Holland et al., Cancer Medicine, 3d ed, p1286-7) | 0 | 3.78 | 2 | 1 |
| Cerebral Pseudosclerosis [description not available] | 0 | 2 | 1 | 0 |
| Hepatolenticular Degeneration A rare autosomal recessive disease characterized by the deposition of copper in the BRAIN; LIVER; CORNEA; and other organs. It is caused by defects in the ATP7B gene encoding copper-transporting ATPase 2 (EC 3.6.3.4), also known as the Wilson disease protein. The overload of copper inevitably leads to progressive liver and neurological dysfunction such as LIVER CIRRHOSIS; TREMOR; ATAXIA and intellectual deterioration. Hepatic dysfunction may precede neurologic dysfunction by several years. | 0 | 2 | 1 | 0 |
| Hyperlipemia [description not available] | 0 | 4.73 | 7 | 0 |
| Hyperlipidemias Conditions with excess LIPIDS in the blood. | 0 | 4.73 | 7 | 0 |
| Dental Leakage The seepage of fluids, debris, and micro-organisms between the walls of a prepared dental cavity and the restoration. | 0 | 2 | 1 | 0 |
| Animal Diseases Diseases that occur in VERTEBRATE animals. | 0 | 2 | 1 | 0 |
| Cirrhosis [description not available] | 0 | 2 | 1 | 0 |
| Leanness [description not available] | 0 | 2 | 1 | 0 |
| Fibrosis Any pathological condition where fibrous connective tissue invades any organ, usually as a consequence of inflammation or other injury. | 0 | 2 | 1 | 0 |
| Alopecia Cicatrisata [description not available] | 0 | 2.01 | 1 | 0 |
| Corpus Luteum Cyst [description not available] | 0 | 2.37 | 2 | 0 |
| Animal Mammary Carcinoma [description not available] | 0 | 2.01 | 1 | 0 |
| Alopecia Absence of hair from areas where it is normally present. | 0 | 2.01 | 1 | 0 |
| Ovarian Cysts General term for CYSTS and cystic diseases of the OVARY. | 0 | 2.37 | 2 | 0 |
| Cardiac Diseases [description not available] | 0 | 2.01 | 1 | 0 |
| Heart Diseases Pathological conditions involving the HEART including its structural and functional abnormalities. | 0 | 2.01 | 1 | 0 |
| Birth Weight The mass or quantity of heaviness of an individual at BIRTH. It is expressed by units of pounds or kilograms. | 0 | 1.95 | 1 | 0 |
| Cleft Palate, Isolated [description not available] | 0 | 1.95 | 1 | 0 |
| Abnormalities, Drug-Induced Congenital abnormalities caused by medicinal substances or drugs of abuse given to or taken by the mother, or to which she is inadvertently exposed during the manufacture of such substances. The concept excludes abnormalities resulting from exposure to non-medicinal chemicals in the environment. | 0 | 3.27 | 2 | 0 |
| Cleft Palate Congenital fissure of the soft and/or hard palate, due to faulty fusion. | 0 | 1.95 | 1 | 0 |
| Health Care Associated Infection [description not available] | 0 | 2.35 | 2 | 0 |
| Burns Injuries to tissues caused by contact with heat, steam, chemicals (BURNS, CHEMICAL), electricity (BURNS, ELECTRIC), or the like. | 0 | 1.95 | 1 | 0 |
| Cross Infection Any infection which a patient contracts in a health-care institution. | 0 | 2.35 | 2 | 0 |
| Contact Dermatitis [description not available] | 0 | 3.06 | 5 | 0 |
| Dermatitis, Contact A type of acute or chronic skin reaction in which sensitivity is manifested by reactivity to materials or substances coming in contact with the skin. It may involve allergic or non-allergic mechanisms. | 0 | 3.06 | 5 | 0 |
| Poisoning, Lead [description not available] | 0 | 2.87 | 1 | 0 |
| Lead Poisoning Poisoning that results from chronic or acute ingestion, injection, inhalation, or skin absorption of LEAD or lead compounds. | 0 | 2.87 | 1 | 0 |
| Cephalgia, Vascular [description not available] | 0 | 3.34 | 1 | 1 |
| Anemia A reduction in the number of circulating ERYTHROCYTES or in the quantity of HEMOGLOBIN. | 0 | 1.95 | 1 | 0 |
| Dental Pulp Disease [description not available] | 0 | 1.95 | 1 | 0 |
| Dental Pulp Diseases Endodontic diseases of the DENTAL PULP inside the tooth, which is distinguished from PERIAPICAL DISEASES of the tissue surrounding the root. | 0 | 1.95 | 1 | 0 |
| Gingivitis Inflammation of gum tissue (GINGIVA) without loss of connective tissue. | 0 | 1.95 | 1 | 0 |
| Papilloma, Squamous Cell [description not available] | 0 | 2.35 | 2 | 0 |
| Papilloma A circumscribed benign epithelial tumor projecting from the surrounding surface; more precisely, a benign epithelial neoplasm consisting of villous or arborescent outgrowths of fibrovascular stroma covered by neoplastic cells. (Stedman, 25th ed) | 0 | 2.35 | 2 | 0 |
| Cyanosis A bluish or purplish discoloration of the skin and mucous membranes due to an increase in the amount of deoxygenated hemoglobin in the blood or a structural defect in the hemoglobin molecule. | 0 | 1.95 | 1 | 0 |
| Breathlessness [description not available] | 0 | 1.95 | 1 | 0 |
| Dyspnea Difficult or labored breathing. | 0 | 1.95 | 1 | 0 |
| Nausea An unpleasant sensation in the stomach usually accompanied by the urge to vomit. Common causes are early pregnancy, sea and motion sickness, emotional stress, intense pain, food poisoning, and various enteroviruses. | 0 | 1.95 | 1 | 0 |
| Abdominal Migraine [description not available] | 0 | 3.34 | 1 | 1 |
| Migraine Disorders A class of disabling primary headache disorders, characterized by recurrent unilateral pulsatile headaches. The two major subtypes are common migraine (without aura) and classic migraine (with aura or neurological symptoms). (International Classification of Headache Disorders, 2nd ed. Cephalalgia 2004: suppl 1) | 0 | 3.34 | 1 | 1 |
| Sarcoma, Epithelioid [description not available] | 0 | 1.95 | 1 | 0 |
| Sarcoma A connective tissue neoplasm formed by proliferation of mesodermal cells; it is usually highly malignant. | 0 | 1.95 | 1 | 0 |
| Dermatitis, Occupational A recurrent contact dermatitis caused by substances found in the work place. | 0 | 1.98 | 1 | 0 |
| Hand Dermatosis [description not available] | 0 | 1.98 | 1 | 0 |
| Hand Dermatoses Skin diseases involving the HANDS. | 0 | 1.98 | 1 | 0 |
| Leukemia, Lymphocytic [description not available] | 0 | 2.36 | 2 | 0 |
| Leukemia, Lymphoid Leukemia associated with HYPERPLASIA of the lymphoid tissues and increased numbers of circulating malignant LYMPHOCYTES and lymphoblasts. | 0 | 2.36 | 2 | 0 |
| Pancreatic Diseases Pathological processes of the PANCREAS. | 0 | 2.38 | 2 | 0 |
| Leukemia L5178 An experimental lymphocytic leukemia of mice. | 0 | 1.97 | 1 | 0 |
| Absence Seizure [description not available] | 0 | 2.36 | 2 | 0 |
| Tachyarrhythmia [description not available] | 0 | 1.96 | 1 | 0 |
| Seizures Clinical or subclinical disturbances of cortical function due to a sudden, abnormal, excessive, and disorganized discharge of brain cells. Clinical manifestations include abnormal motor, sensory and psychic phenomena. Recurrent seizures are usually referred to as EPILEPSY or seizure disorder. | 0 | 2.36 | 2 | 0 |
| Tachycardia Abnormally rapid heartbeat, usually with a HEART RATE above 100 beats per minute for adults. Tachycardia accompanied by disturbance in the cardiac depolarization (cardiac arrhythmia) is called tachyarrhythmia. | 0 | 1.96 | 1 | 0 |
| Dermatitis, Poison Ivy [description not available] | 0 | 4.25 | 4 | 1 |
| Carcinoma, Krebs 2 A transplantable neoplasm of mice. | 0 | 1.95 | 1 | 0 |
| Infections, Pseudomonas [description not available] | 0 | 1.95 | 1 | 0 |
| Pseudomonas Infections Infections with bacteria of the genus PSEUDOMONAS. | 0 | 1.95 | 1 | 0 |
| Equine Diseases [description not available] | 0 | 1.94 | 1 | 0 |
| Carbon Tetrachloride Poisoning Poisoning that results from ingestion, injection, inhalation, or skin absorption of CARBON TETRACHLORIDE. | 0 | 2.64 | 3 | 0 |
| Respiratory Tract Diseases Diseases involving the RESPIRATORY SYSTEM. | 0 | 1.94 | 1 | 0 |
| Pruritus Ani Intense chronic itching in the anal area. | 0 | 3.33 | 1 | 1 |
| Rupture, Spontaneous Tear or break of an organ, vessel or other soft part of the body, occurring in the absence of external force. | 0 | 2.86 | 1 | 0 |
| Blood Clot [description not available] | 0 | 3.96 | 5 | 0 |
| Thrombosis Formation and development of a thrombus or blood clot in the blood vessel. | 0 | 3.96 | 5 | 0 |
| Dermatitis Medicamentosa [description not available] | 0 | 3.33 | 1 | 1 |
| E coli Infections [description not available] | 0 | 1.95 | 1 | 0 |
| Pus [description not available] | 0 | 1.95 | 1 | 0 |
| Escherichia coli Infections Infections with bacteria of the species ESCHERICHIA COLI. | 0 | 1.95 | 1 | 0 |
| Curling Ulcer Acute stress DUODENAL ULCER, usually observed in patients with extensive third-degree burns. | 0 | 1.94 | 1 | 0 |
| Duodenal Ulcer A PEPTIC ULCER located in the DUODENUM. | 0 | 1.94 | 1 | 0 |
| Bile Duct Obstruction [description not available] | 0 | 1.94 | 1 | 0 |
| Deficiency, Vitamin E [description not available] | 0 | 2.35 | 2 | 0 |
| Cholestasis Impairment of bile flow due to obstruction in small bile ducts (INTRAHEPATIC CHOLESTASIS) or obstruction in large bile ducts (EXTRAHEPATIC CHOLESTASIS). | 0 | 1.94 | 1 | 0 |
| Goiter Enlargement of the THYROID GLAND that may increase from about 20 grams to hundreds of grams in human adults. Goiter is observed in individuals with normal thyroid function (euthyroidism), thyroid deficiency (HYPOTHYROIDISM), or hormone overproduction (HYPERTHYROIDISM). Goiter may be congenital or acquired, sporadic or endemic (GOITER, ENDEMIC). | 0 | 1.94 | 1 | 0 |
| Cushing's Syndrome [description not available] | 0 | 1.94 | 1 | 0 |
| Cushing Syndrome A condition caused by prolonged exposure to excess levels of cortisol (HYDROCORTISONE) or other GLUCOCORTICOIDS from endogenous or exogenous sources. It is characterized by upper body OBESITY; OSTEOPOROSIS; HYPERTENSION; DIABETES MELLITUS; HIRSUTISM; AMENORRHEA; and excess body fluid. Endogenous Cushing syndrome or spontaneous hypercortisolism is divided into two groups, those due to an excess of ADRENOCORTICOTROPIN and those that are ACTH-independent. | 0 | 1.94 | 1 | 0 |
| Foot and Mouth Disease [description not available] | 0 | 1.94 | 1 | 0 |
| Swine Diseases Diseases of domestic swine and of the wild boar of the genus Sus. | 0 | 1.94 | 1 | 0 |
| Cell Transformation, Neoplastic Cell changes manifested by escape from control mechanisms, increased growth potential, alterations in the cell surface, karyotypic abnormalities, morphological and biochemical deviations from the norm, and other attributes conferring the ability to invade, metastasize, and kill. | 0 | 1.95 | 1 | 0 |
| Inferior Dislocation [description not available] | 0 | 2.35 | 2 | 0 |
| Peripheral Nerve Diseases [description not available] | 0 | 1.95 | 1 | 0 |
| Segond Fracture [description not available] | 0 | 1.95 | 1 | 0 |
| Foot Deformities, Acquired Distortion or disfigurement of the foot, or a part of the foot, acquired through disease or injury after birth. | 0 | 1.95 | 1 | 0 |
| Peripheral Nervous System Diseases Diseases of the peripheral nerves external to the brain and spinal cord, which includes diseases of the nerve roots, ganglia, plexi, autonomic nerves, sensory nerves, and motor nerves. | 0 | 1.95 | 1 | 0 |
| Tibial Fractures Fractures of the TIBIA. | 0 | 1.95 | 1 | 0 |
| Bone Fractures [description not available] | 0 | 1.95 | 1 | 0 |
| Tendinitis Inflammation of TENDONS. It is characterized by the degeneration of tendons accompanied by an inflammatory repair response, fibroblastic proliferation, and formation of granulation tissue. Tendinitis is not a clinical diagnosis and can be confirmed only by histopathological findings. | 0 | 1.95 | 1 | 0 |
| Adhesive Capsulitis [description not available] | 0 | 1.95 | 1 | 0 |
| Bruise [description not available] | 0 | 1.95 | 1 | 0 |
| Periphlebitis Periphlebitis is inflammation of the outer coat of a vein or of tissues surrounding the vein. | 0 | 1.95 | 1 | 0 |
| Phlegmasia Alba Dolens Inflammation that is characterized by swollen, pale, and painful limb. It is usually caused by DEEP VEIN THROMBOSIS in a FEMORAL VEIN, following PARTURITION or an illness. This condition is also called milk leg or white leg. | 0 | 1.95 | 1 | 0 |
| Bursitis Inflammation or irritation of a SYNOVIAL BURSA, the fibrous sac that acts as a cushion between moving structures of bones, muscles, tendons or skin. | 0 | 1.95 | 1 | 0 |
| Contusions Injuries resulting in hemorrhage, usually manifested in the skin. | 0 | 1.95 | 1 | 0 |
| Phlebitis Inflammation of a vein, often a vein in the leg. Phlebitis associated with a blood clot is called (THROMBOPHLEBITIS). | 0 | 1.95 | 1 | 0 |
| Thrombophlebitis Inflammation of a vein associated with a blood clot (THROMBUS). | 0 | 1.95 | 1 | 0 |
| Fractures, Bone Breaks in bones. | 0 | 1.95 | 1 | 0 |
| Tendinopathy Clinical syndrome describing overuse tendon injuries characterized by a combination of PAIN, diffuse or localized swelling, and impaired performance. | 0 | 1.95 | 1 | 0 |
| Nephrotic Syndrome A condition characterized by severe PROTEINURIA, greater than 3.5 g/day in an average adult. The substantial loss of protein in the urine results in complications such as HYPOPROTEINEMIA; generalized EDEMA; HYPERTENSION; and HYPERLIPIDEMIAS. Diseases associated with nephrotic syndrome generally cause chronic kidney dysfunction. | 0 | 3.27 | 2 | 0 |
| Blood Protein Disorders Hematologic diseases caused by structural or functional defects of BLOOD PROTEINS. | 0 | 3.74 | 2 | 0 |
| Skin Manifestations Dermatologic disorders attendant upon non-dermatologic disease or injury. | 0 | 2.86 | 1 | 0 |
| Dermatomycoses Superficial infections of the skin or its appendages by any of various fungi. | 0 | 2.86 | 1 | 0 |
| Metastase [description not available] | 0 | 3.33 | 1 | 1 |
| Neoplasm Metastasis The transfer of a neoplasm from one organ or part of the body to another remote from the primary site. | 0 | 3.33 | 1 | 1 |
| Elevated Cholesterol [description not available] | 0 | 2.86 | 1 | 0 |
| Hypercholesterolemia A condition with abnormally high levels of CHOLESTEROL in the blood. It is defined as a cholesterol value exceeding the 95th percentile for the population. | 0 | 2.86 | 1 | 0 |
| Candidiasis, Genital [description not available] | 0 | 4.3 | 2 | 2 |
| Trichomoniasis, Human [description not available] | 0 | 3.33 | 1 | 1 |
| Candidiasis, Vulvovaginal Infection of the VULVA and VAGINA with a fungus of the genus CANDIDA. | 0 | 4.3 | 2 | 2 |
| Trichomonas Vaginitis Inflammation of the vagina, marked by a purulent discharge. This disease is caused by the protozoan TRICHOMONAS VAGINALIS. | 0 | 3.33 | 1 | 1 |
| Anxiety Feelings or emotions of dread, apprehension, and impending disaster but not disabling as with ANXIETY DISORDERS. | 0 | 3.33 | 1 | 1 |
| Thromboembolism Obstruction of a blood vessel (embolism) by a blood clot (THROMBUS) in the blood stream. | 0 | 1.95 | 1 | 0 |
| Alcohol Abuse [description not available] | 0 | 1.95 | 1 | 0 |
| Alcoholism A primary, chronic disease with genetic, psychosocial, and environmental factors influencing its development and manifestations. The disease is often progressive and fatal. It is characterized by impaired control over drinking, preoccupation with the drug alcohol, use of alcohol despite adverse consequences, and distortions in thinking, most notably denial. Each of these symptoms may be continuous or periodic. (Morse & Flavin for the Joint Commission of the National Council on Alcoholism and Drug Dependence and the American Society of Addiction Medicine to Study the Definition and Criteria for the Diagnosis of Alcoholism: in JAMA 1992;268:1012-4) | 0 | 1.95 | 1 | 0 |
| Alcoholic Intoxication An acute brain syndrome which results from the excessive ingestion of ETHANOL or ALCOHOLIC BEVERAGES. | 0 | 2.35 | 2 | 0 |
| Focal Neurologic Deficits [description not available] | 0 | 1.95 | 1 | 0 |
| Embolism, Pulmonary [description not available] | 0 | 1.95 | 1 | 0 |
| Pulmonary Embolism Blocking of the PULMONARY ARTERY or one of its branches by an EMBOLUS. | 0 | 1.95 | 1 | 0 |
| Brain Damage, Chronic A condition characterized by long-standing brain dysfunction or damage, usually of three months duration or longer. Potential etiologies include BRAIN INFARCTION; certain NEURODEGENERATIVE DISORDERS; CRANIOCEREBRAL TRAUMA; ANOXIA, BRAIN; ENCEPHALITIS; certain NEUROTOXICITY SYNDROMES; metabolic disorders (see BRAIN DISEASES, METABOLIC); and other conditions. | 0 | 1.95 | 1 | 0 |
| Bodily Distress Disorder [description not available] | 0 | 1.95 | 1 | 0 |
| Polyneuropathy, Acquired [description not available] | 0 | 1.95 | 1 | 0 |
| Cold Fingers, Hereditary [description not available] | 0 | 2.35 | 2 | 0 |
| Eye Manifestations Ocular disorders attendant upon non-ocular disease or injury. | 0 | 1.95 | 1 | 0 |
| Polyneuropathies Diseases of multiple peripheral nerves simultaneously. Polyneuropathies usually are characterized by symmetrical, bilateral distal motor and sensory impairment with a graded increase in severity distally. The pathological processes affecting peripheral nerves include degeneration of the axon, myelin or both. The various forms of polyneuropathy are categorized by the type of nerve affected (e.g., sensory, motor, or autonomic), by the distribution of nerve injury (e.g., distal vs. proximal), by nerve component primarily affected (e.g., demyelinating vs. axonal), by etiology, or by pattern of inheritance. | 0 | 1.95 | 1 | 0 |
| Raynaud Disease An idiopathic vascular disorder characterized by bilateral Raynaud phenomenon, the abrupt onset of digital paleness or CYANOSIS in response to cold exposure or stress. | 0 | 2.35 | 2 | 0 |
| Glomerular Necrosis [description not available] | 0 | 1.95 | 1 | 0 |
| Porphyria [description not available] | 0 | 2.35 | 2 | 0 |
| Porphyrias A diverse group of metabolic diseases characterized by errors in the biosynthetic pathway of HEME in the LIVER, the BONE MARROW, or both. They are classified by the deficiency of specific enzymes, the tissue site of enzyme defect, or the clinical features that include neurological (acute) or cutaneous (skin lesions). Porphyrias can be hereditary or acquired as a result of toxicity to the hepatic or erythropoietic marrow tissues. | 0 | 2.35 | 2 | 0 |
| Plant Poisoning Poisoning by the ingestion of plants or its leaves, berries, roots or stalks. The manifestations in both humans and animals vary in severity from mild to life threatening. In animals, especially domestic animals, it is usually the result of ingesting moldy or fermented forage. | 0 | 2.86 | 1 | 0 |
| Lathyrism A paralytic condition of the legs caused by ingestion of lathyrogens, especially BETA-AMINOPROPIONITRILE or beta-N-oxalyl amino-L-alanine, which are found in the seeds of plants of the genus LATHYRUS. | 0 | 2.86 | 1 | 0 |
| Anemia, Hypoplastic [description not available] | 0 | 2.64 | 3 | 0 |
| Anemia, Aplastic A form of anemia in which the bone marrow fails to produce adequate numbers of peripheral blood elements. | 0 | 2.64 | 3 | 0 |
| Endomyocardial Fibrosis A condition characterized by the thickening of the ventricular ENDOCARDIUM and subendocardium (MYOCARDIUM), seen mostly in children and young adults in the TROPICAL CLIMATE. The fibrous tissue extends from the apex toward and often involves the HEART VALVES causing restrictive blood flow into the respective ventricles (CARDIOMYOPATHY, RESTRICTIVE). | 0 | 1.94 | 1 | 0 |
| Bone Loss, Osteoclastic [description not available] | 0 | 2.64 | 3 | 0 |
| Reticulum Cell-Like Sarcoma, Yoshida [description not available] | 0 | 1.94 | 1 | 0 |
| Carcinoma 256, Walker A transplantable carcinoma of the rat that originally appeared spontaneously in the mammary gland of a pregnant albino rat, and which now resembles a carcinoma in young transplants and a sarcoma in older transplants. (Stedman, 25th ed) | 0 | 2.35 | 2 | 0 |
| Icterus [description not available] | 0 | 1.94 | 1 | 0 |
| Jaundice A clinical manifestation of HYPERBILIRUBINEMIA, characterized by the yellowish staining of the SKIN; MUCOUS MEMBRANE; and SCLERA. Clinical jaundice usually is a sign of LIVER dysfunction. | 0 | 1.94 | 1 | 0 |
| Deficiency Diseases A condition produced by dietary or metabolic deficiency. The term includes all diseases caused by an insufficient supply of essential nutrients, i.e., protein (or amino acids), vitamins, and minerals. It also includes an inadequacy of calories. (From Dorland, 27th ed; Stedman, 25th ed) | 0 | 2.35 | 2 | 0 |
| Nutritional Disorders [description not available] | 0 | 1.94 | 1 | 0 |
| Nutrition Disorders Disorders caused by nutritional imbalance, either overnutrition or undernutrition. | 0 | 1.94 | 1 | 0 |
| Dementia Praecox [description not available] | 0 | 1.94 | 1 | 0 |
| Schizophrenia A severe emotional disorder of psychotic depth characteristically marked by a retreat from reality with delusion formation, HALLUCINATIONS, emotional disharmony, and regressive behavior. | 0 | 1.94 | 1 | 0 |
| Cancer of Mouth [description not available] | 0 | 1.94 | 1 | 0 |
| Mouth Neoplasms Tumors or cancer of the MOUTH. | 0 | 1.94 | 1 | 0 |
| Bronchial Pneumonia [description not available] | 0 | 1.94 | 1 | 0 |
| Gastroduodenal Ulcer [description not available] | 0 | 2.63 | 3 | 0 |
| Peptic Ulcer Ulcer that occurs in the regions of the GASTROINTESTINAL TRACT which come into contact with GASTRIC JUICE containing PEPSIN and GASTRIC ACID. It occurs when there are defects in the MUCOSA barrier. The common forms of peptic ulcers are associated with HELICOBACTER PYLORI and the consumption of nonsteroidal anti-inflammatory drugs (NSAIDS). | 0 | 2.63 | 3 | 0 |
| Vaginitis Inflammation of the vagina characterized by pain and a purulent discharge. | 0 | 3.32 | 1 | 1 |
| Atrophy, Muscle [description not available] | 0 | 1.94 | 1 | 0 |
| Muscular Atrophy Derangement in size and number of muscle fibers occurring with aging, reduction in blood supply, or following immobilization, prolonged weightlessness, malnutrition, and particularly in denervation. | 0 | 1.94 | 1 | 0 |
| Aortic Diseases Pathological processes involving any part of the AORTA. | 0 | 1.94 | 1 | 0 |
| Abetalipoproteinemia An autosomal recessive disorder of lipid metabolism. It is caused by mutation of the microsomal triglyceride transfer protein that catalyzes the transport of lipids (TRIGLYCERIDES; CHOLESTEROL ESTERS; PHOSPHOLIPIDS) and is required in the secretion of BETA-LIPOPROTEINS (low density lipoproteins or LDL). Features include defective intestinal lipid absorption, very low serum cholesterol level, and near absent LDL. | 0 | 1.94 | 1 | 0 |
| Malabsorption Syndromes General term for a group of MALNUTRITION syndromes caused by failure of normal INTESTINAL ABSORPTION of nutrients. | 0 | 1.94 | 1 | 0 |
| Bone Cysts Benign unilocular lytic areas in the proximal end of a long bone with well defined and narrow endosteal margins. The cysts contain fluid and the cyst walls may contain some giant cells. Bone cysts usually occur in males between the ages 3-15 years. | 0 | 1.94 | 1 | 0 |
| Age-Related Osteoporosis [description not available] | 0 | 1.94 | 1 | 0 |
| Osteosclerosis An abnormal hardening or increased density of bone tissue. | 0 | 1.94 | 1 | 0 |
| Bone Diseases Diseases of BONES. | 0 | 1.94 | 1 | 0 |
| Osteoporosis Reduction of bone mass without alteration in the composition of bone, leading to fractures. Primary osteoporosis can be of two major types: postmenopausal osteoporosis (OSTEOPOROSIS, POSTMENOPAUSAL) and age-related or senile osteoporosis. | 0 | 1.94 | 1 | 0 |
| Achlorhydria A lack of HYDROCHLORIC ACID in GASTRIC JUICE despite stimulation of gastric secretion. | 0 | 1.94 | 1 | 0 |
| Gastritis Inflammation of the GASTRIC MUCOSA, a lesion observed in a number of unrelated disorders. | 0 | 1.94 | 1 | 0 |
| Action Tremor [description not available] | 0 | 1.94 | 1 | 0 |
| Tremor Cyclical movement of a body part that can represent either a physiologic process or a manifestation of disease. Intention or action tremor, a common manifestation of CEREBELLAR DISEASES, is aggravated by movement. In contrast, resting tremor is maximal when there is no attempt at voluntary movement, and occurs as a relatively frequent manifestation of PARKINSON DISEASE. | 0 | 1.94 | 1 | 0 |
| Amnesia-Memory Loss [description not available] | 0 | 1.94 | 1 | 0 |
| Amnesia Pathologic partial or complete loss of the ability to recall past experiences (AMNESIA, RETROGRADE) or to form new memories (AMNESIA, ANTEROGRADE). This condition may be of organic or psychologic origin. Organic forms of amnesia are usually associated with dysfunction of the DIENCEPHALON or HIPPOCAMPUS. (From Adams et al., Principles of Neurology, 6th ed, pp426-7) | 0 | 1.94 | 1 | 0 |
| Postpartum Amenorrhea [description not available] | 0 | 1.94 | 1 | 0 |
| Sterility, Female [description not available] | 0 | 1.94 | 1 | 0 |
| Bleeding Between Periods [description not available] | 0 | 1.94 | 1 | 0 |
| Amenorrhea Absence of menstruation. | 0 | 1.94 | 1 | 0 |
| Infertility, Female Diminished or absent ability of a female to achieve conception. | 0 | 1.94 | 1 | 0 |
| Metrorrhagia Abnormal uterine bleeding that is not related to MENSTRUATION, usually in females without regular MENSTRUAL CYCLE. The irregular and unpredictable bleeding usually comes from a dysfunctional ENDOMETRIUM. | 0 | 1.94 | 1 | 0 |
| Fetal Death Death of the developing young in utero. BIRTH of a dead FETUS is STILLBIRTH. | 0 | 1.94 | 1 | 0 |
| Gas Poisoning Poisoning that results from exposure to gases such as CARBON MONOXIDE; NOBLE GASES; OXYGEN; or NATURAL GAS. | 0 | 1.94 | 1 | 0 |
| Cancer of Salivary Gland [description not available] | 0 | 1.94 | 1 | 0 |
| Chondroma A benign neoplasm derived from mesodermal cells that form cartilage. It may remain within the substance of a cartilage or bone (true chondroma or enchondroma) or may develop on the surface of a cartilage (ecchondroma or ecchondrosis). (Dorland, 27th ed; Stedman, 25th ed) | 0 | 1.94 | 1 | 0 |
| Salivary Gland Neoplasms Tumors or cancer of the SALIVARY GLANDS. | 0 | 1.94 | 1 | 0 |
| C gattii Infection [description not available] | 0 | 1.94 | 1 | 0 |
| Histoplasma capsulatum Infection [description not available] | 0 | 1.94 | 1 | 0 |
| Coccidioides immitis Infection [description not available] | 0 | 1.94 | 1 | 0 |
| Blastomycosis, North American [description not available] | 0 | 1.94 | 1 | 0 |
| Blastomycosis A fungal infection that may appear in two forms: 1, a primary lesion characterized by the formation of a small cutaneous nodule and small nodules along the lymphatics that may heal within several months; and 2, chronic granulomatous lesions characterized by thick crusts, warty growths, and unusual vascularity and infection in the middle or upper lobes of the lung. | 0 | 1.94 | 1 | 0 |
| Coccidioidomycosis Infection with a fungus of the genus COCCIDIOIDES, endemic to the SOUTHWESTERN UNITED STATES. It is sometimes called valley fever but should not be confused with RIFT VALLEY FEVER. Infection is caused by inhalation of airborne, fungal particles known as arthroconidia, a form of FUNGAL SPORES. A primary form is an acute, benign, self-limited respiratory infection. A secondary form is a virulent, severe, chronic, progressive granulomatous disease with systemic involvement. It can be detected by use of COCCIDIOIDIN. | 0 | 1.94 | 1 | 0 |
| Cryptococcosis Fungal infection caused by genus CRYPTOCOCCUS. | 0 | 1.94 | 1 | 0 |
| Histoplasmosis Infection resulting from exposure to the fungus HISTOPLASMA. It is worldwide in distribution and particularly common in the central and eastern states, especially areas around the Ohio and Mississippi River valleys. | 0 | 1.94 | 1 | 0 |
| Infantile Diarrhea [description not available] | 0 | 1.94 | 1 | 0 |
| Diarrhea, Infantile DIARRHEA occurring in infants from newborn to 24-months old. | 0 | 1.94 | 1 | 0 |
| Gastroenteritis INFLAMMATION of any segment of the GASTROINTESTINAL TRACT from ESOPHAGUS to RECTUM. Causes of gastroenteritis are many including genetic, infection, HYPERSENSITIVITY, drug effects, and CANCER. | 0 | 1.94 | 1 | 0 |
| Hepatitis INFLAMMATION of the LIVER. | 0 | 1.94 | 1 | 0 |