1.0 2010-04-08 22:13:51 UTC 2019-11-26 03:16:28 UTC FDB018662 Wyerol Isolated from seedlings of broad bean Vicia faba infected with Botrytis subspecies Wyerol is found in pulses. Methyl 3-[5-(1-hydroxy-4-hepten-2-ynyl)-2-furanyl]-2-propenoate Wyerol C15H16O4 260.2851 260.104859 methyl (2Z)-3-{5-[(4Z)-1-hydroxyhept-4-en-2-yn-1-yl]furan-2-yl}prop-2-enoate methyl (2Z)-3-{5-[(4Z)-1-hydroxyhept-4-en-2-yn-1-yl]furan-2-yl}prop-2-enoate 20450-52-6 CC\C=C/C#CC(O)C1=CC=C(O1)\C=C/C(=O)OC InChI=1S/C15H16O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h4-5,8-11,13,16H,3H2,1-2H3/b5-4-,11-9- RIOSBTRTZGOASU-JXWPTCDWSA-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 3.12 ALOGPS logs -3.91 ALOGPS solubility 3.23e-02 g/l ALOGPS melting_point Mp 55-56° logp 2.82 ChemAxon pka_strongest_acidic 11.72 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac methyl (2Z)-3-{5-[(4Z)-1-hydroxyhept-4-en-2-yn-1-yl]furan-2-yl}prop-2-enoate ChemAxon average_mass 260.2851 ChemAxon mono_mass 260.104859 ChemAxon smiles CC\C=C/C#CC(O)C1=CC=C(O1)\C=C/C(=O)OC ChemAxon formula C15H16O4 ChemAxon inchi InChI=1S/C15H16O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h4-5,8-11,13,16H,3H2,1-2H3/b5-4-,11-9- ChemAxon inchikey RIOSBTRTZGOASU-JXWPTCDWSA-N ChemAxon polar_surface_area 59.67 ChemAxon refractivity 74.58 ChemAxon polarizability 28.04 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13129 Specdb::CMs 46285 Specdb::CMs 148753 Specdb::MsMs 64464 Specdb::MsMs 64465 Specdb::MsMs 64466 Specdb::MsMs 121620 Specdb::MsMs 121621 Specdb::MsMs 121622 Specdb::MsMs 2412499 Specdb::MsMs 2412500 Specdb::MsMs 2412501 Specdb::MsMs 2549715 Specdb::MsMs 2549716 Specdb::MsMs 2549717 HMDB39142 #<Reference:0x000055ce32b4f130> Pulses Unknown generic