1.02010-04-08 22:11:00 UTC2019-11-26 03:09:22 UTCFDB013974EpishyobunoneConstituent of the rhizome of Acorus calamus (sweet flag). Epishyobunone is found in herbs and spices and root vegetables.epi-ShyobunoneEpishyobunoneC15H24O220.3505220.182715393-ethenyl-3-methyl-2-(prop-1-en-2-yl)-6-(propan-2-yl)cyclohexan-1-one3-ethenyl-6-isopropyl-3-methyl-2-(prop-1-en-2-yl)cyclohexan-1-one39020-72-9CC(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/h7,10,12-13H,1,4,8-9H2,2-3,5-6H3GWHRSRIPLDHJHR-UHFFFAOYSA-N belongs to the class of organic compounds known as elemane sesquiterpenoids. These are sesquiterpenoids with a structure based on the elemane skeleton. Elemane is a monocyclic compound consisting of a cyclohexane ring substituted with a methyl group, an ethyl group, and two 1-methylethyl groups at the 1-, 1-, 2-, and 4-position, respectively.Elemane sesquiterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsSesquiterpenoidsAliphatic homomonocyclic compoundsCyclic ketonesHydrocarbon derivativesOrganic oxidesAliphatic homomonocyclic compoundCarbonyl groupCyclic ketoneElemane sesquiterpenoidHydrocarbon derivativeKetoneOrganic oxideOrganic oxygen compoundOrganooxygen compoundlogp4.26logs-4.67solubility4.66e-03 g/llogp4.42pka_strongest_acidic18.83pka_strongest_basic-7.6iupac3-ethenyl-3-methyl-2-(prop-1-en-2-yl)-6-(propan-2-yl)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/h7,10,12-13H,1,4,8-9H2,2-3,5-6H3inchikeyGWHRSRIPLDHJHR-UHFFFAOYSA-Npolar_surface_area17.07refractivity69.14polarizability26.92rotatable_bond_count3acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs14334Specdb::CMs162563Specdb::MsMs12767Specdb::MsMs12768Specdb::MsMs12769Specdb::MsMs19439Specdb::MsMs19440Specdb::MsMs19441Specdb::MsMs2265111Specdb::MsMs2265112Specdb::MsMs2265113Specdb::MsMs3074397Specdb::MsMs3074398Specdb::MsMs3074399Herbs and SpicesUnknowngenericRoot vegetablesUnknowngeneric