1.0 2010-04-08 22:11:37 UTC 2019-11-26 03:11:09 UTC FDB015057 (R)-2,5,11-Bisabolatriene Constituent of the essential oil of Curcuma amada (mango-ginger) and Curcuma xanthorrhiza (Java turmeric). (R)-2,5,11-Bisabolatriene is found in many foods, some of which are herbs and spices, root vegetables, turmeric, and beverages. 3-methyl-4-[(E)-prop-1-enyl]cyclohexene beta-Curcumene C15H24 204.3511 204.187800768 1-methyl-4-(6-methylhept-6-en-2-yl)cyclohexa-1,4-diene 1-methyl-4-(6-methylhept-6-en-2-yl)cyclohexa-1,4-diene 28976-67-2 CC(CCCC(C)=C)C1=CCC(C)=CC1 InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h8,11,14H,1,5-7,9-10H2,2-4H3 XISBISVWIJDEQH-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 homomonocyclic compounds Branched unsaturated hydrocarbons Cyclic olefins Unsaturated aliphatic hydrocarbons Aliphatic homomonocyclic compound Bisabolane sesquiterpenoid Branched unsaturated hydrocarbon Cyclic olefin Hydrocarbon Olefin Sesquiterpenoid Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon logp 6.07 ALOGPS logs -4.37 ALOGPS solubility 8.81e-03 g/l ALOGPS logp 4.88 ChemAxon iupac 1-methyl-4-(6-methylhept-6-en-2-yl)cyclohexa-1,4-diene ChemAxon average_mass 204.3511 ChemAxon mono_mass 204.187800768 ChemAxon smiles CC(CCCC(C)=C)C1=CCC(C)=CC1 ChemAxon formula C15H24 ChemAxon inchi InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h8,11,14H,1,5-7,9-10H2,2-4H3 ChemAxon inchikey XISBISVWIJDEQH-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 70.28 ChemAxon polarizability 26.5 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10717 Specdb::CMs 165969 Specdb::MsMs 95577 Specdb::MsMs 95578 Specdb::MsMs 95579 Specdb::MsMs 159864 Specdb::MsMs 159865 Specdb::MsMs 159866 Specdb::MsMs 2832786 Specdb::MsMs 2832787 Specdb::MsMs 2832788 Specdb::MsMs 2848910 Specdb::MsMs 2848911 Specdb::MsMs 2848912 HMDB36200 #<Reference:0x000055ce3210a990> Beverages Unknown generic Herbs and Spices Unknown generic Lemon balm Type 1 specific Melissa officinalis 39338 Root vegetables Unknown generic Turmeric Type 1 specific Curcuma longa 136217 1800.0 1800.0 1800.0 mg/100 g