1.0 2010-04-08 22:08:15 UTC 2019-11-26 03:03:15 UTC FDB008806 12-Oxo-2,3-dinor-10,15-phytodienoic acid Isolated from potato (Solanum tuberosum). 12-Oxo-2,3-dinor-10,15-phytodienoic acid is found in alcoholic beverages and potato. 12-Oxo-2,3-dinor-10,15-phytodienoic acid 2-Cyclopentene-1-hexanoic acid, 4-oxo-5-(2-pentenyl)-, (Z)- 2-cyclopentene-1-hexanoic acid, 4-oxo-5-[(2Z)-2-pentenyl]- 4-oxo-5-(2-Pentenyl)-(Z)-2-cyclopentene-1-hexanoic acid 4-Oxo-5-(2-pentenyl)-2-cyclopentene-1-hexanoic acid 4-oxo-5-[(2Z)-2-Pentenyl]-2-cyclopentene-1-hexanoic acid Dinor-oxo-phytodienoic acid C16H24O3 264.36 264.172544634 6-{4-oxo-5-[(2E)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoic acid 6-{4-oxo-5-[(2E)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoic acid 197247-23-7 CC\C=C\CC1C(CCCCCC(O)=O)C=CC1=O InChI=1S/C16H24O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,11-14H,2,4,6-10H2,1H3,(H,18,19)/b5-3+ SZVNKXCDJUBPQO-HWKANZROSA-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 ketones Hydrocarbon derivatives Medium-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic ketone Hydrocarbon derivative Ketone Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Prostaglandin skeleton logp 4.07 ALOGPS logs -3.97 ALOGPS solubility 2.81e-02 g/l ALOGPS logp 4.19 ChemAxon pka_strongest_acidic 4.6 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 6-{4-oxo-5-[(2E)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoic acid ChemAxon average_mass 264.36 ChemAxon mono_mass 264.172544634 ChemAxon smiles CC\C=C\CC1C(CCCCCC(O)=O)C=CC1=O ChemAxon formula C16H24O3 ChemAxon inchi InChI=1S/C16H24O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,11-14H,2,4,6-10H2,1H3,(H,18,19)/b5-3+ ChemAxon inchikey SZVNKXCDJUBPQO-HWKANZROSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 78.05 ChemAxon polarizability 31.11 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21082 Specdb::CMs 42737 Specdb::CMs 152275 Specdb::MsMs 108417 Specdb::MsMs 108418 Specdb::MsMs 108419 Specdb::MsMs 175635 Specdb::MsMs 175636 Specdb::MsMs 175637 Specdb::MsMs 2474783 Specdb::MsMs 2474784 Specdb::MsMs 2474785 Specdb::MsMs 2490731 Specdb::MsMs 2490732 Specdb::MsMs 2490733 HMDB32090 #<Reference:0x000055ce33601b78> Alcoholic beverages Unknown generic Potato Type 1 specific Solanum tuberosum 4113