1.0 2010-04-08 22:14:18 UTC 2019-11-26 03:17:24 UTC FDB019351 Auberganol Constituent of Solanum melongena (aubergine). Auberganol is found in fruits and eggplant. Auberganol C15H28O2 240.3816 240.20893014 7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-decahydronaphthalen-2-ol 7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-octahydro-1H-naphthalen-2-ol 102490-02-8 CC1C(O)CCC2(C)CCC(CC12)C(C)(C)O InChI=1S/C15H28O2/c1-10-12-9-11(14(2,3)17)5-7-15(12,4)8-6-13(10)16/h10-13,16-17H,5-9H2,1-4H3 XALRSJNOMCWQJW-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 Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoid Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Tertiary alcohol logp 2.99 ALOGPS logs -3.33 ALOGPS solubility 1.14e-01 g/l ALOGPS melting_point Mp 173-173.5° logp 2.57 ChemAxon pka_strongest_acidic 18.89 ChemAxon pka_strongest_basic -0.71 ChemAxon iupac 7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-decahydronaphthalen-2-ol ChemAxon average_mass 240.3816 ChemAxon mono_mass 240.20893014 ChemAxon smiles CC1C(O)CCC2(C)CCC(CC12)C(C)(C)O ChemAxon formula C15H28O2 ChemAxon inchi InChI=1S/C15H28O2/c1-10-12-9-11(14(2,3)17)5-7-15(12,4)8-6-13(10)16/h10-13,16-17H,5-9H2,1-4H3 ChemAxon inchikey XALRSJNOMCWQJW-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 70.18 ChemAxon polarizability 29.07 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23716 Specdb::CMs 46531 Specdb::CMs 172886 Specdb::MsMs 9044 Specdb::MsMs 9045 Specdb::MsMs 9046 Specdb::MsMs 15716 Specdb::MsMs 15717 Specdb::MsMs 15718 Specdb::MsMs 2438845 Specdb::MsMs 2438846 Specdb::MsMs 2438847 Specdb::MsMs 2523843 Specdb::MsMs 2523844 Specdb::MsMs 2523845 HMDB39715 #<Reference:0x000055ce3224bf98> Eggplant Type 1 specific Solanum melongena 4111 Fruits Unknown generic