1.0 2010-04-08 22:07:26 UTC 2025-11-18 23:03:41 UTC FDB007067 11-Hydroxy-11-methylethyl-6,10-dimethylspiro[4.5]-dec-6-en-8-one (4r,5s,7r,11x)-11,12-dihydroxy-1(10)-spirovetiven-2-one is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units (4r,5s,7r,11x)-11,12-dihydroxy-1(10)-spirovetiven-2-one is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (4r,5s,7r,11x)-11,12-dihydroxy-1(10)-spirovetiven-2-one can be found in potato, which makes (4r,5s,7r,11x)-11,12-dihydroxy-1(10)-spirovetiven-2-one a potential biomarker for the consumption of this food product. C15H24O3 252.3493 252.172544634 2-(1,2-dihydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one 2-(1,2-dihydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one CC1CC(=O)C=C(C)C11CCC(C1)C(C)(O)CO InChI=1S/C15H24O3/c1-10-6-13(17)7-11(2)15(10)5-4-12(8-15)14(3,18)9-16/h6,11-12,16,18H,4-5,7-9H2,1-3H3 FWLWCLDHPUPCHO-UHFFFAOYSA-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 homopolycyclic compounds 1,2-diols Cyclohexenones Hydrocarbon derivatives Organic oxides Primary alcohols Tertiary alcohols 1,2-diol Alcohol Aliphatic homopolycyclic compound Carbonyl group Cyclic ketone Cyclohexenone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Sesquiterpenoid Spirovetivane-type sesquiterpenoid Tertiary alcohol logp 1.51 ALOGPS logs -2.73 ALOGPS solubility 4.75e-01 g/l ALOGPS logp 1.61 ChemAxon pka_strongest_acidic 13.87 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 2-(1,2-dihydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one ChemAxon average_mass 252.3493 ChemAxon mono_mass 252.172544634 ChemAxon smiles CC1CC(=O)C=C(C)C11CCC(C1)C(C)(O)CO ChemAxon formula C15H24O3 ChemAxon inchi InChI=1S/C15H24O3/c1-10-6-13(17)7-11(2)15(10)5-4-12(8-15)14(3,18)9-16/h6,11-12,16,18H,4-5,7-9H2,1-3H3 ChemAxon inchikey FWLWCLDHPUPCHO-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 71.6 ChemAxon polarizability 28.38 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11904 Specdb::CMs 43119 Specdb::CMs 132450 Specdb::CMs 140184 Specdb::MsMs 100092 Specdb::MsMs 100093 Specdb::MsMs 100094 Specdb::MsMs 165330 Specdb::MsMs 165331 Specdb::MsMs 165332 Specdb::MsMs 2718141 Specdb::MsMs 2718142 Specdb::MsMs 2718143 Specdb::MsMs 2964237 Specdb::MsMs 2964238 Specdb::MsMs 2964239 HMDB0033149 Potato Type 1 specific Solanum tuberosum 4113