1.0 2010-04-08 22:14:08 UTC 2019-11-26 03:17:06 UTC FDB019100 Dihydrowyerone acid Constituent of broad bean Vicia faba infected with Botrytis subspecies Dihydrowyerone acid is found in pulses. Dihydrowyerone acid C14H14O4 246.2586 246.089208936 (2Z)-3-[5-(hept-2-ynoyl)furan-2-yl]prop-2-enoic acid (2Z)-3-[5-(hept-2-ynoyl)furan-2-yl]prop-2-enoic acid 70711-57-8 CCCCC#CC(=O)C1=CC=C(O1)\C=C/C(O)=O InChI=1S/C14H14O4/c1-2-3-4-5-6-12(15)13-9-7-11(18-13)8-10-14(16)17/h7-10H,2-4H2,1H3,(H,16,17)/b10-8- RZGRQFVNPYQSLD-NTMALXAHSA-N belongs to the class of organic compounds known as furanoid fatty acids. These are fatty acids containing a 5-alkylfuran-2-alkanoic acid. Furanoid fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aromatic heteromonocyclic compounds Alpha,beta-unsaturated ketones Aryl ketones Carboxylic acids Furans Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Alpha,beta-unsaturated ketone Aromatic heteromonocyclic compound Aryl ketone Carbonyl group Carboxylic acid Carboxylic acid derivative Furan Furanoid fatty acid Heteroaromatic compound Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp 3.13 ALOGPS logs -3.92 ALOGPS solubility 2.95e-02 g/l ALOGPS logp 3.25 ChemAxon pka_strongest_acidic 2.21 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac (2Z)-3-[5-(hept-2-ynoyl)furan-2-yl]prop-2-enoic acid ChemAxon average_mass 246.2586 ChemAxon mono_mass 246.089208936 ChemAxon smiles CCCCC#CC(=O)C1=CC=C(O1)\C=C/C(O)=O ChemAxon formula C14H14O4 ChemAxon inchi InChI=1S/C14H14O4/c1-2-3-4-5-6-12(15)13-9-7-11(18-13)8-10-14(16)17/h7-10H,2-4H2,1H3,(H,16,17)/b10-8- ChemAxon inchikey RZGRQFVNPYQSLD-NTMALXAHSA-N ChemAxon polar_surface_area 67.51 ChemAxon refractivity 68.18 ChemAxon polarizability 26.16 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 52461 Specdb::MsMs 52462 Specdb::MsMs 52463 Specdb::MsMs 177678 Specdb::MsMs 177679 Specdb::MsMs 177680 Specdb::MsMs 2660533 Specdb::MsMs 2660534 Specdb::MsMs 2660535 Specdb::MsMs 3018906 Specdb::MsMs 3018907 Specdb::MsMs 3018908 Specdb::CMs 24754 Specdb::CMs 46428 Specdb::CMs 136504 Specdb::CMs 144238 HMDB39493 #<Reference:0x000055ce318ee8b0> Pulses Unknown generic