1.0 2010-04-08 22:11:21 UTC 2019-11-26 03:10:23 UTC FDB014591 Aubergenone Found in diseased eggplant (Solanum melongena) and from the stem bark of Mangifera indica (mango) [1R-(1alpha,4aalpha,7alpha,8abeta)]-4a,5,6,7,8,8a-Hexahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-2(1H)-naphthalenone Aubergenone Mangeudesmenone C15H24O2 236.3499 236.177630012 7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-one 7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one 69427-35-6 CC1C2CC(CCC2(C)C=CC1=O)C(C)(C)O InChI=1S/C15H24O2/c1-10-12-9-11(14(2,3)17)5-7-15(12,4)8-6-13(10)16/h6,8,10-12,17H,5,7,9H2,1-4H3 MSSWKGZMPUXALD-UHFFFAOYSA-N belongs to the class of organic compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. These are sesquiterpenoids with a structure based on the eudesmane skeleton. Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Cyclohexenones Hydrocarbon derivatives Organic oxides Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Carbonyl group Cyclic ketone Cyclohexenone Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Tertiary alcohol logp 2.93 ALOGPS logs -3.48 ALOGPS solubility 7.82e-02 g/l ALOGPS logp 2.95 ChemAxon pka_strongest_acidic 19.25 ChemAxon pka_strongest_basic -0.94 ChemAxon iupac 7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-one ChemAxon average_mass 236.3499 ChemAxon mono_mass 236.177630012 ChemAxon smiles CC1C2CC(CCC2(C)C=CC1=O)C(C)(C)O ChemAxon formula C15H24O2 ChemAxon inchi InChI=1S/C15H24O2/c1-10-12-9-11(14(2,3)17)5-7-15(12,4)8-6-13(10)16/h6,8,10-12,17H,5,7,9H2,1-4H3 ChemAxon inchikey MSSWKGZMPUXALD-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 70.34 ChemAxon polarizability 27.66 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20070 Specdb::CMs 44583 Specdb::CMs 174208 Specdb::MsMs 11171 Specdb::MsMs 11172 Specdb::MsMs 11173 Specdb::MsMs 17843 Specdb::MsMs 17844 Specdb::MsMs 17845 Specdb::MsMs 2434729 Specdb::MsMs 2434730 Specdb::MsMs 2434731 Specdb::MsMs 2504285 Specdb::MsMs 2504286 Specdb::MsMs 2504287 HMDB35827 #<Reference:0x000056127207b7e8> Eggplant Type 1 specific Solanum melongena 4111 Fruits Unknown generic Green vegetables Unknown generic 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.