1.0 2010-04-08 22:13:05 UTC 2019-11-26 03:14:51 UTC FDB017437 10,11-Dihydro-6-oxoatlantone Constituent of Ginkgo biloba (ginkgo). 10,11-Dihydro-6-oxoatlantone is found in ginkgo nuts and fats and oils. (E)-5-(1,5-Dimethyl-3-oxo-1-hexenyl)-2-methyl-2-cyclohexen-1-one 10,11-Dihydro-6-oxoatlantone 3,7-Bisaboladiene-2,8-dione C15H22O2 234.334 234.161979948 2-methyl-5-[(2Z)-6-methyl-4-oxohept-2-en-2-yl]cyclohex-2-en-1-one 2-methyl-5-[(2Z)-6-methyl-4-oxohept-2-en-2-yl]cyclohex-2-en-1-one 57095-92-8 CC(C)CC(=O)\C=C(\C)C1CC=C(C)C(=O)C1 InChI=1S/C15H22O2/c1-10(2)7-14(16)8-12(4)13-6-5-11(3)15(17)9-13/h5,8,10,13H,6-7,9H2,1-4H3/b12-8- KXTCYNARSLCXMW-WQLSENKSSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homomonocyclic compounds Acryloyl compounds Cyclohexenones Enones Hydrocarbon derivatives Organic oxides Acryloyl-group Aliphatic homomonocyclic compound Alpha,beta-unsaturated ketone Bisabolane sesquiterpenoid Carbonyl group Cyclic ketone Cyclohexenone Enone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Sesquiterpenoid logp 3.21 ALOGPS logs -3.39 ALOGPS solubility 9.53e-02 g/l ALOGPS logp 3.74 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 2-methyl-5-[(2Z)-6-methyl-4-oxohept-2-en-2-yl]cyclohex-2-en-1-one ChemAxon average_mass 234.334 ChemAxon mono_mass 234.161979948 ChemAxon smiles CC(C)CC(=O)\C=C(\C)C1CC=C(C)C(=O)C1 ChemAxon formula C15H22O2 ChemAxon inchi InChI=1S/C15H22O2/c1-10(2)7-14(16)8-12(4)13-6-5-11(3)15(17)9-13/h5,8,10,13H,6-7,9H2,1-4H3/b12-8- ChemAxon inchikey KXTCYNARSLCXMW-WQLSENKSSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 71.82 ChemAxon polarizability 26.6 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17285 Specdb::CMs 146080 Specdb::MsMs 95340 Specdb::MsMs 95341 Specdb::MsMs 95342 Specdb::MsMs 159591 Specdb::MsMs 159592 Specdb::MsMs 159593 Specdb::MsMs 2446980 Specdb::MsMs 2446981 Specdb::MsMs 2446982 Specdb::MsMs 2518302 Specdb::MsMs 2518303 Specdb::MsMs 2518304 HMDB38198 #<Reference:0x000055ce336242b8> Fats and oils Unknown generic Ginkgo nuts Type 1 specific Ginkgo biloba 3311