1.0 2010-04-08 22:15:14 UTC 2019-11-26 03:19:22 UTC FDB020738 (E)-9-(3-Furanyl)-2,6-dimethyl-2,6-nonadien-4-one Isolated from fungus-infected Ipomoea batatas (sweet potato). (E)-9-(3-Furanyl)-2,6-dimethyl-2,6-nonadien-4-one is found in root vegetables and potato. C15H20O2 232.3181 232.146329884 (6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dien-4-one (6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dien-4-one 53098-76-3 CC(C)=CC(=O)C\C(C)=C\CCC1=COC=C1 InChI=1S/C15H20O2/c1-12(2)9-15(16)10-13(3)5-4-6-14-7-8-17-11-14/h5,7-9,11H,4,6,10H2,1-3H3/b13-5+ UFGQHNWFUWHNSS-WLRTZDKTSA-N belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. Aromatic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aromatic heteromonocyclic compounds Acryloyl compounds Enones Furans Heteroaromatic compounds Hydrocarbon derivatives Ketones Monocyclic monoterpenoids Organic oxides Oxacyclic compounds Acryloyl-group Alpha,beta-unsaturated ketone Aromatic heteromonocyclic compound Aromatic monoterpenoid Carbonyl group Enone Furan Heteroaromatic compound Hydrocarbon derivative Ketone Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp 4.24 ALOGPS logs -3.79 ALOGPS solubility 3.75e-02 g/l ALOGPS logp 4.13 ChemAxon pka_strongest_acidic 16.95 ChemAxon pka_strongest_basic -2.5 ChemAxon iupac (6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dien-4-one ChemAxon average_mass 232.3181 ChemAxon mono_mass 232.146329884 ChemAxon smiles CC(C)=CC(=O)C\C(C)=C\CCC1=COC=C1 ChemAxon formula C15H20O2 ChemAxon inchi InChI=1S/C15H20O2/c1-12(2)9-15(16)10-13(3)5-4-6-14-7-8-17-11-14/h5,7-9,11H,4,6,10H2,1-3H3/b13-5+ ChemAxon inchikey UFGQHNWFUWHNSS-WLRTZDKTSA-N ChemAxon polar_surface_area 30.21 ChemAxon refractivity 71.84 ChemAxon polarizability 26.88 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14113 Specdb::CMs 134377 Specdb::CMs 142111 Specdb::MsMs 297130 Specdb::MsMs 297131 Specdb::MsMs 297132 Specdb::MsMs 338572 Specdb::MsMs 338573 Specdb::MsMs 338574 Specdb::MsMs 2359757 Specdb::MsMs 2359758 Specdb::MsMs 2359759 Specdb::MsMs 2606236 Specdb::MsMs 2606237 Specdb::MsMs 2606238 HMDB40902 #<Reference:0x000055ce32ffabf8> Potato Type 1 specific Solanum tuberosum 4113 Root vegetables Unknown generic