1.02010-04-08 22:13:02 UTC2019-11-26 03:14:42 UTCFDB0173521,4,9-CadinatrieneConstituent of Acorus calamus (sweet flag). 1,4,9-Cadinatriene is found in herbs and spices and root vegetables.(-)-Cadala-1,4,9-triene1,4,9-CadalatrieneC15H22202.3352202.1721507044,7-dimethyl-1-(propan-2-yl)-1,2,6,8a-tetrahydronaphthalene4-isopropyl-1,6-dimethyl-3,4,4a,7-tetrahydronaphthalene71609-04-6CC(C)C1CC=C(C)C2=CCC(C)=CC12InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6-7,9-10,13,15H,5,8H2,1-4H3KGEVYKNFJQYULL-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 compoundsBranched unsaturated hydrocarbonsCyclic olefinsPolycyclic hydrocarbonsUnsaturated aliphatic hydrocarbonsAliphatic homopolycyclic compoundBranched unsaturated hydrocarbonCadinane sesquiterpenoidCyclic olefinHydrocarbonOlefinPolycyclic hydrocarbonSesquiterpenoidUnsaturated aliphatic hydrocarbonUnsaturated hydrocarbonlogp5.13logs-3.75solubility3.61e-02 g/llogp4.04iupac4,7-dimethyl-1-(propan-2-yl)-1,2,6,8a-tetrahydronaphthaleneaverage_mass202.3352mono_mass202.172150704smilesCC(C)C1CC=C(C)C2=CCC(C)=CC12formulaC15H22inchiInChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6-7,9-10,13,15H,5,8H2,1-4H3inchikeyKGEVYKNFJQYULL-UHFFFAOYSA-Npolar_surface_area0refractivity69.45polarizability25.79rotatable_bond_count1acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::CMs14293Specdb::CMs155714Specdb::MsMs103314Specdb::MsMs103315Specdb::MsMs103316Specdb::MsMs169326Specdb::MsMs169327Specdb::MsMs169328Specdb::MsMs2683452Specdb::MsMs2683453Specdb::MsMs2683454Specdb::MsMs3021558Specdb::MsMs3021559Specdb::MsMs3021560HMDB38125#<Reference:0x0000555676346198>Herbs and SpicesUnknowngenericRoot vegetablesUnknowngeneric