1.02010-04-08 22:13:05 UTC2019-11-26 03:14:50 UTCFDB017432IsoshyobunoneConstituent of the rhizomes of Acorus calamus (sweet flag). Isoshyobunone is found in herbs and spices and root vegetables.iso-ShyobunoneIsoshyobunoneC15H24O220.3505220.182715393-ethenyl-3-methyl-6-(propan-2-yl)-2-(propan-2-ylidene)cyclohexan-1-one3-ethenyl-6-isopropyl-3-methyl-2-(propan-2-ylidene)cyclohexan-1-one21698-46-4CC(C)C1CCC(C)(C=C)C(=C(C)C)C1=OInChI=1S/C15H24O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12H,1,8-9H2,2-6H3YMIHAYABXZORPU-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 homomonocyclic compoundsCyclic ketonesHydrocarbon derivativesOrganic oxidesAliphatic homomonocyclic compoundCarbonyl groupCyclic ketoneHydrocarbon derivativeKetoneOrganic oxideOrganic oxygen compoundOrganooxygen compoundSesquiterpenoidlogp4.59logs-4.24solubility1.26e-02 g/llogp4.57pka_strongest_basic-4.9iupac3-ethenyl-3-methyl-6-(propan-2-yl)-2-(propan-2-ylidene)cyclohexan-1-oneaverage_mass220.3505mono_mass220.18271539smilesCC(C)C1CCC(C)(C=C)C(=C(C)C)C1=OformulaC15H24OinchiInChI=1S/C15H24O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12H,1,8-9H2,2-6H3inchikeyYMIHAYABXZORPU-UHFFFAOYSA-Npolar_surface_area17.07refractivity69.97polarizability26.89rotatable_bond_count2acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs20656Specdb::CMs133402Specdb::CMs141136Specdb::MsMs76890Specdb::MsMs76891Specdb::MsMs76892Specdb::MsMs136845Specdb::MsMs136846Specdb::MsMs136847Specdb::MsMs3037292Specdb::MsMs3037293Specdb::MsMs3037294Specdb::MsMs3107030Specdb::MsMs3107031Specdb::MsMs3107032HMDB38193#<Reference:0x0000555675149468>Herbs and SpicesUnknowngenericRoot vegetablesUnknowngeneric