1.0 2011-09-21 01:50:36 UTC 2018-05-28 18:38:24 UTC FDB029134 14-Hydroxy-E4-neuroprostane Dinoprostone is equivalent to prostaglandin E2 (PGE2). It stimulates labor and delivery and thus terminates pregnancy. Dinoprostone is also capable of stimulating the smooth muscle of the gastrointestinal tract of man. This activity may be responsible for the vomiting and/or diarrhea that is not uncommon when dinoprostone is used to terminate pregnancy. [HMDB] 10,14-Dihydroxy-7,11-cyclo-8-oxo-4Z,12E,16Z,19Z-docosatetraenoate 10,14-Dihydroxy-7,11-cyclo-8-oxo-4Z,12E,16Z,19Z-docosatetraenoic acid 14OHE4NP C22H32O5 376.4865 376.224974134 (4Z)-6-{3-hydroxy-2-[(1E,5Z,8Z)-3-hydroxyundeca-1,5,8-trien-1-yl]-5-oxocyclopentyl}hex-4-enoic acid (4Z)-6-{3-hydroxy-2-[(1E,5Z,8Z)-3-hydroxyundeca-1,5,8-trien-1-yl]-5-oxocyclopentyl}hex-4-enoic acid 264597-38-8 CC\C=C/C\C=C/CC(O)\C=C\C1C(O)CC(=O)C1C\C=C/CCC(O)=O InChI=1S/C22H32O5/c1-2-3-4-5-6-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-7-10-13-22(26)27/h3-4,6-9,14-15,17-19,21,23,25H,2,5,10-13,16H2,1H3,(H,26,27)/b4-3-,8-6-,9-7-,15-14+ BCQOUZGZSCCQCM-YOQRWUOZSA-N belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid. Prostaglandins and related compounds Organic compounds Lipids and lipid-like molecules Fatty Acyls Eicosanoids Aliphatic homomonocyclic compounds Carboxylic acids Cyclic alcohols and derivatives Cyclic ketones Cyclopentanols Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Unsaturated fatty acids Alcohol Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Cyclic ketone Cyclopentanol Fatty acid Hydrocarbon derivative Hydroxy fatty acid Ketone Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Prostaglandin skeleton Secondary alcohol Unsaturated fatty acid Solid logp 3.54 ALOGPS logs -4.19 ALOGPS solubility 2.40e-02 g/l ALOGPS logp 3.39 ChemAxon pka_strongest_acidic 4.34 ChemAxon pka_strongest_basic -1.7 ChemAxon iupac (4Z)-6-{3-hydroxy-2-[(1E,5Z,8Z)-3-hydroxyundeca-1,5,8-trien-1-yl]-5-oxocyclopentyl}hex-4-enoic acid ChemAxon average_mass 376.4865 ChemAxon mono_mass 376.224974134 ChemAxon smiles CC\C=C/C\C=C/CC(O)\C=C\C1C(O)CC(=O)C1C\C=C/CCC(O)=O ChemAxon formula C22H32O5 ChemAxon inchi InChI=1S/C22H32O5/c1-2-3-4-5-6-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-7-10-13-22(26)27/h3-4,6-9,14-15,17-19,21,23,25H,2,5,10-13,16H2,1H3,(H,26,27)/b4-3-,8-6-,9-7-,15-14+ ChemAxon inchikey BCQOUZGZSCCQCM-YOQRWUOZSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 110.87 ChemAxon polarizability 42.09 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13883 Specdb::CMs 39966 Specdb::MsMs 296620 Specdb::MsMs 296621 Specdb::MsMs 296622 Specdb::MsMs 337951 Specdb::MsMs 337952 Specdb::MsMs 337953 HMDB12580