1.0 2011-06-02 23:37:12 UTC 2019-11-26 03:20:58 UTC FDB021854 3-Thujanone Thujone is a ketone and a monoterpene that occurs naturally in two diastereomeric forms: (-)-alpha-thujone and (+)-beta-thujone. It has a menthol odor. In addition to (-)-alpha-thujone and (+)-beta-thujone, there are their enantiomeric forms, (+)-alpha-thujone and (-)-beta-thujone. 3-Thujanone is found in common sage. (+-)-Isothujone (+-)-Thujone 1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one 3-Sabinanone 4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one, 9CI Absinthone Chrysanthone Salvone Tanacetone C10H16O 152.237 152.120115135 4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one 3-isothujone 1125-12-8 CC(C)C12CC1C(C)C(=O)C2 InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3 USMNOWBWPHYOEA-UHFFFAOYSA-N belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Bicyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homopolycyclic compounds Cyclic ketones Hydrocarbon derivatives Organic oxides Aliphatic homopolycyclic compound Bicyclic monoterpenoid Carbonyl group Cyclic ketone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Thujane monoterpenoid a monoterpenol cyclic terpene ketone thujane monoterpenoid logp 1.74 ALOGPS logs -2.54 ALOGPS solubility 4.38e-01 g/l ALOGPS logp 2.28 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one ChemAxon average_mass 152.237 ChemAxon mono_mass 152.120115135 ChemAxon smiles CC(C)C12CC1C(C)C(=O)C2 ChemAxon formula C10H16O ChemAxon inchi InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3 ChemAxon inchikey USMNOWBWPHYOEA-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 44.54 ChemAxon polarizability 17.98 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5689 Specdb::CMs 117359 Specdb::CMs 126586 Specdb::CMs 129941 Specdb::CMs 130254 Specdb::CMs 133530 Specdb::CMs 141264 Specdb::MsMs 10658 Specdb::MsMs 10659 Specdb::MsMs 10660 Specdb::MsMs 17330 Specdb::MsMs 17331 Specdb::MsMs 17332 Specdb::MsMs 3051641 Specdb::MsMs 3051642 Specdb::MsMs 3051643 Specdb::MsMs 3119659 Specdb::MsMs 3119660 Specdb::MsMs 3119661 HMDB41631 50040 #<Reference:0x000055ce33636620> Common sage Type 1 specific Salvia officinalis 38868 cedarleaf