1.0 2010-04-08 22:05:35 UTC 2019-11-26 02:58:10 UTC FDB002924 Wyerone Constituent of broad bean seedlings (Vicia faba) infected with Botrytis subspecies Wyerone is found in lentils, pulses, and broad bean. Wyerone C15H14O4 258.2693 258.089208936 methyl (2Z)-3-{5-[(4Z)-hept-4-en-2-ynoyl]furan-2-yl}prop-2-enoate methyl (2Z)-3-{5-[(4Z)-hept-4-en-2-ynoyl]furan-2-yl}prop-2-enoate 20079-30-5 CC\C=C/C#CC(=O)C1=CC=C(O1)\C=C/C(=O)OC InChI=1S/C15H14O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h4-5,8-11H,3H2,1-2H3/b5-4-,11-9- NQZCQIDFBYCBAU-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 Alpha,beta-unsaturated ketones Aryl ketones Enoate esters Fatty acid esters Furans Heteroaromatic compounds Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Alpha,beta-unsaturated carboxylic ester Alpha,beta-unsaturated ketone Aromatic heteromonocyclic compound Aryl ketone Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Fatty acid ester Furan Furanoid fatty acid Heteroaromatic compound Hydrocarbon derivative Ketone Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp 3.33 ALOGPS logs -4.11 ALOGPS solubility 2.02e-02 g/l ALOGPS melting_point Mp 63.5-64° logp 3.27 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac methyl (2Z)-3-{5-[(4Z)-hept-4-en-2-ynoyl]furan-2-yl}prop-2-enoate ChemAxon average_mass 258.2693 ChemAxon mono_mass 258.089208936 ChemAxon smiles CC\C=C/C#CC(=O)C1=CC=C(O1)\C=C/C(=O)OC ChemAxon formula C15H14O4 ChemAxon inchi InChI=1S/C15H14O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h4-5,8-11H,3H2,1-2H3/b5-4-,11-9- ChemAxon inchikey NQZCQIDFBYCBAU-JXWPTCDWSA-N ChemAxon polar_surface_area 56.51 ChemAxon refractivity 74.06 ChemAxon polarizability 27.15 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13581 Specdb::CMs 159449 Specdb::MsMs 82932 Specdb::MsMs 82933 Specdb::MsMs 82934 Specdb::MsMs 144426 Specdb::MsMs 144427 Specdb::MsMs 144428 Specdb::MsMs 2816986 Specdb::MsMs 2816987 Specdb::MsMs 2816988 Specdb::MsMs 2888434 Specdb::MsMs 2888435 Specdb::MsMs 2888436 HMDB30947 #<Reference:0x000055ce321ff080> Broad bean Type 1 specific Vicia faba 3906 17.25 17.25 17.25 mg/100 g Lentils Type 1 generic Lens culinaris 3864 Pulses Unknown generic Fungicide 940 A substance used to destroy fungal pests. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Phytoalexin 1223 A toxin made by a plant that acts against an organism attacking it.