1.0 2010-04-08 22:14:08 UTC 2019-11-26 03:17:06 UTC FDB019104 Dihydrowyerol Constituent of broad bean Vicia faba infected with Botrytis subspecies Dihydrowyerol is found in pulses. Dihydrowyerol C15H18O4 262.301 262.120509064 methyl (2Z)-3-[5-(1-hydroxyhept-2-yn-1-yl)furan-2-yl]prop-2-enoate methyl (2Z)-3-[5-(1-hydroxyhept-2-yn-1-yl)furan-2-yl]prop-2-enoate 70711-58-9 CCCCC#CC(O)C1=CC=C(O1)\C=C/C(=O)OC InChI=1S/C15H18O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h8-11,13,16H,3-5H2,1-2H3/b11-9- LQJHQXFOPADMRA-LUAWRHEFSA-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 Aromatic alcohols Carbonyl compounds Enoate esters Fatty acid esters Fatty alcohols Furans Heteroaromatic compounds Hydrocarbon derivatives Hydroxy fatty acids Methyl esters Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Secondary alcohols Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic alcohol Aromatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Fatty acid ester Fatty alcohol Furan Furanoid fatty acid Heteroaromatic compound Hydrocarbon derivative Hydroxy fatty acid Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol logp 3.25 ALOGPS logs -3.87 ALOGPS solubility 3.56e-02 g/l ALOGPS logp 3.19 ChemAxon pka_strongest_acidic 11.84 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac methyl (2Z)-3-[5-(1-hydroxyhept-2-yn-1-yl)furan-2-yl]prop-2-enoate ChemAxon average_mass 262.301 ChemAxon mono_mass 262.120509064 ChemAxon smiles CCCCC#CC(O)C1=CC=C(O1)\C=C/C(=O)OC ChemAxon formula C15H18O4 ChemAxon inchi InChI=1S/C15H18O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h8-11,13,16H,3-5H2,1-2H3/b11-9- ChemAxon inchikey LQJHQXFOPADMRA-LUAWRHEFSA-N ChemAxon polar_surface_area 59.67 ChemAxon refractivity 73.47 ChemAxon polarizability 29.13 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14380 Specdb::CMs 46431 Specdb::CMs 162244 Specdb::MsMs 46686 Specdb::MsMs 46687 Specdb::MsMs 46688 Specdb::MsMs 166857 Specdb::MsMs 166858 Specdb::MsMs 166859 Specdb::MsMs 2346194 Specdb::MsMs 2346195 Specdb::MsMs 2346196 Specdb::MsMs 2592808 Specdb::MsMs 2592809 Specdb::MsMs 2592810 HMDB39497 #<Reference:0x000055ce32559230> Pulses Unknown generic