1.02010-04-08 22:11:19 UTC2019-11-26 03:10:16 UTCFDB014523Carvotanacetone(r)-carvotanacetone, also known as cyproterone acetate or carvone, (S)-isomer, is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes (r)-carvotanacetone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (r)-carvotanacetone can be found in dill and lovage, which makes (r)-carvotanacetone a potential biomarker for the consumption of these food products. 2-Methyl-5-(1-methylethyl)-2-cyclohexen-1-one5-Isopropyl-2-methyl-2-cyclohexen-1-oneCarvotagetoneCarvotanacetoneC10H16O152.2334152.1201151342-methyl-5-(propan-2-yl)cyclohex-2-en-1-one5-isopropyl-2-methylcyclohex-2-en-1-one499-71-8CC(C)C1CC=C(C)C(=O)C1InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,7,9H,5-6H2,1-3H3WPGPCDVQHXOMQP-UHFFFAOYSA-N belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.Menthane monoterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoidsAliphatic homomonocyclic compoundsCyclohexenonesHydrocarbon derivativesMonocyclic monoterpenoidsOrganic oxidesAliphatic homomonocyclic compoundCarbonyl groupCyclic ketoneCyclohexenoneHydrocarbon derivativeKetoneMonocyclic monoterpenoidOrganic oxideOrganic oxygen compoundOrganooxygen compoundP-menthane monoterpenoidlogp2.75logs-2.05solubility1.36e+00 g/llogp2.9pka_strongest_basic-4.6iupac2-methyl-5-(propan-2-yl)cyclohex-2-en-1-oneaverage_mass152.2334mono_mass152.120115134smilesCC(C)C1CC=C(C)C(=O)C1formulaC10H16OinchiInChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,7,9H,5-6H2,1-3H3inchikeyWPGPCDVQHXOMQP-UHFFFAOYSA-Npolar_surface_area17.07refractivity47.4polarizability18.4rotatable_bond_count1acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs25379Specdb::CMs160828Specdb::MsIr6751Specdb::MsIr6752Specdb::MsMs107280Specdb::MsMs107281Specdb::MsMs107282Specdb::MsMs174210Specdb::MsMs174211Specdb::MsMs174212Specdb::MsMs2413876Specdb::MsMs2413877Specdb::MsMs2413878Specdb::MsMs2552696Specdb::MsMs2552697Specdb::MsMs2552698DillType 1specificAnethum graveolens40922LovageType 1specificLevisticum officinale48042