1.0 2010-04-08 22:11:46 UTC 2025-11-19 00:53:59 UTC FDB015305 Jatamansone (-)-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)-naphthalenone Jatamansone Jatamansone, (+)- Valeranone, (+)- C15H26O 222.3663 222.198365454 4a,8a-dimethyl-7-(propan-2-yl)-decahydronaphthalen-1-one 7-isopropyl-4a,8a-dimethyl-hexahydro-2H-naphthalen-1-one 5090-54-0 CC(C)C1CCC2(C)CCCC(=O)C2(C)C1 InChI=1S/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3 HDVXJTYHXDVWQO-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 Hydrocarbon derivatives Ketones Organic oxides Aliphatic homopolycyclic compound Carbonyl group Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Sesquiterpenoid Valerane sequiterpene logp 4.66 ALOGPS logs -4.96 ALOGPS solubility 2.47e-03 g/l ALOGPS logp 4.62 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac 4a,8a-dimethyl-7-(propan-2-yl)-decahydronaphthalen-1-one ChemAxon average_mass 222.3663 ChemAxon mono_mass 222.198365454 ChemAxon smiles CC(C)C1CCC2(C)CCCC(=O)C2(C)C1 ChemAxon formula C15H26O ChemAxon inchi InChI=1S/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3 ChemAxon inchikey HDVXJTYHXDVWQO-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 67.44 ChemAxon polarizability 27.37 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21827 Specdb::CMs 131578 Specdb::CMs 139312 Specdb::MsMs 7316 Specdb::MsMs 7317 Specdb::MsMs 7318 Specdb::MsMs 13988 Specdb::MsMs 13989 Specdb::MsMs 13990 Specdb::MsMs 2671989 Specdb::MsMs 2671990 Specdb::MsMs 2671991 Specdb::MsMs 3009891 Specdb::MsMs 3009892 Specdb::MsMs 3009893 HMDB0036421 Common sage Type 1 specific Salvia officinalis 38868