1.02010-04-08 22:11:46 UTC2019-11-26 03:11:25 UTCFDB015305Jatamansone(-)-valeranone, also known as (-)-jatamansone, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units (-)-valeranone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (-)-valeranone can be found in common sage, which makes (-)-valeranone a potential biomarker for the consumption of this food product. 7-Isopropyl-4a,8a-dimethyloctahydro-1(2H)-naphthalenoneJatamansoneJatamansone, (+)-Valeranone, (+)-C15H26O222.3663222.1983654544a,8a-dimethyl-7-(propan-2-yl)-decahydronaphthalen-1-one7-isopropyl-4a,8a-dimethyl-hexahydro-2H-naphthalen-1-one5090-54-0CC(C)C1CCC2(C)CCCC(=O)C2(C)C1InChI=1S/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3HDVXJTYHXDVWQO-UHFFFAOYSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.SesquiterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsSesquiterpenoidsAliphatic homopolycyclic compoundsHydrocarbon derivativesKetonesOrganic oxidesAliphatic homopolycyclic compoundCarbonyl groupHydrocarbon derivativeKetoneOrganic oxideOrganic oxygen compoundOrganooxygen compoundSesquiterpenoidValerane sequiterpenelogp4.66logs-4.96solubility2.47e-03 g/llogp4.62pka_strongest_basic-7.5iupac4a,8a-dimethyl-7-(propan-2-yl)-decahydronaphthalen-1-oneaverage_mass222.3663mono_mass222.198365454smilesCC(C)C1CCC2(C)CCCC(=O)C2(C)C1formulaC15H26OinchiInChI=1S/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3inchikeyHDVXJTYHXDVWQO-UHFFFAOYSA-Npolar_surface_area17.07refractivity67.44polarizability27.37rotatable_bond_count1acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs21827Specdb::CMs131578Specdb::CMs139312Specdb::MsMs7316Specdb::MsMs7317Specdb::MsMs7318Specdb::MsMs13988Specdb::MsMs13989Specdb::MsMs13990Specdb::MsMs2671989Specdb::MsMs2671990Specdb::MsMs2671991Specdb::MsMs3009891Specdb::MsMs3009892Specdb::MsMs3009893Common sageType 1specificSalvia officinalis38868