1.02010-04-08 22:11:34 UTC2019-11-26 03:11:01 UTCFDB014953(S,Z)-2,7,10-BisabolatrieneConstituent of oil of Opoponax. (S,Z)-2,7,10-Bisabolatriene is found in herbs and spices.4-(1,5-Dimethyl-1,4-hexadien-1-yl)-1-methyl-cyclohexene4-(1,5-Dimethyl-1,4-hexadienyl)-1-methyl-cyclohexeneC15H24204.3511204.1878007681-methyl-4-[(2Z)-6-methylhepta-2,5-dien-2-yl]cyclohex-1-ene(Z)-α-bisabolene17627-44-0CC(C)=CC\C=C(\C)C1CCC(C)=CC1InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7-YHBUQBJHSRGZNF-AUWJEWJLSA-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 homomonocyclic compoundsBranched unsaturated hydrocarbonsCycloalkenesUnsaturated aliphatic hydrocarbonsAliphatic homomonocyclic compoundBisabolane sesquiterpenoidBranched unsaturated hydrocarbonCyclic olefinCycloalkeneHydrocarbonOlefinSesquiterpenoidUnsaturated aliphatic hydrocarbonUnsaturated hydrocarbonBisabolane sesquiterpenoidsalpha-bisabolenelogp5.95logs-3.93solubility2.41e-02 g/llogp4.82iupac1-methyl-4-[(2Z)-6-methylhepta-2,5-dien-2-yl]cyclohex-1-eneaverage_mass204.3511mono_mass204.187800768smilesCC(C)=CC\C=C(\C)C1CCC(C)=CC1formulaC15H24inchiInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7-inchikeyYHBUQBJHSRGZNF-AUWJEWJLSA-Npolar_surface_area0refractivity71.36polarizability26.24rotatable_bond_count3acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::CMs10394Specdb::CMs27354Specdb::CMs101715Specdb::CMs156205Specdb::MsMs82611Specdb::MsMs82612Specdb::MsMs82613Specdb::MsMs144036Specdb::MsMs144037Specdb::MsMs144038Specdb::MsMs2775557Specdb::MsMs2775558Specdb::MsMs2775559Specdb::MsMs2905818Specdb::MsMs2905819Specdb::MsMs2905820HMDB35161#<Reference:0x0000555675680170>Herbs and SpicesUnknowngeneric