1.02010-04-08 22:12:12 UTC2019-11-26 03:12:41 UTCFDB016053AcoragermacroneConstituent of Acorus calamus (sweet flag). Acoragermacrone is found in herbs and spices and root vegetables.1(10),4-Germacradien-6-oneAcoragermacroneBacchascandoneC15H24O220.3505220.18271539(2Z,6Z)-3,7-dimethyl-10-(propan-2-yl)cyclodeca-2,6-dien-1-one(2Z,6Z)-10-isopropyl-3,7-dimethylcyclodeca-2,6-dien-1-one50281-45-3CC(C)C1CC\C(C)=C/CC\C(C)=C/C1=OInChI=1S/C15H24O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,10-11,14H,5,7-9H2,1-4H3/b12-6-,13-10-RESNWHKKMVJDFA-HVZNDUSUSA-N belongs to the class of organic compounds known as germacrane sesquiterpenoids. These are sesquiterpenoids having the germacrane skeleton, with a structure characterized by a cyclodecane ring substituted with an isopropyl and two methyl groups.Germacrane sesquiterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsSesquiterpenoidsAliphatic homomonocyclic compoundsCyclic ketonesHydrocarbon derivativesOrganic oxidesAliphatic homomonocyclic compoundCarbonyl groupCyclic ketoneGermacrane sesquiterpenoidHydrocarbon derivativeKetoneOrganic oxideOrganic oxygen compoundOrganooxygen compoundlogp4.92logs-3.59solubility5.65e-02 g/llogp4.66pka_strongest_basic-4.6iupac(2Z,6Z)-3,7-dimethyl-10-(propan-2-yl)cyclodeca-2,6-dien-1-oneaverage_mass220.3505mono_mass220.18271539smilesCC(C)C1CC\C(C)=C/CC\C(C)=C/C1=OformulaC15H24OinchiInChI=1S/C15H24O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,10-11,14H,5,7-9H2,1-4H3/b12-6-,13-10-inchikeyRESNWHKKMVJDFA-HVZNDUSUSA-Npolar_surface_area17.07refractivity71.15polarizability27.02rotatable_bond_count1acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs15238Specdb::CMs170840Specdb::MsMs92373Specdb::MsMs92374Specdb::MsMs92375Specdb::MsMs155973Specdb::MsMs155974Specdb::MsMs155975Specdb::MsMs2275155Specdb::MsMs2275156Specdb::MsMs2275157Specdb::MsMs3091076Specdb::MsMs3091077Specdb::MsMs3091078HMDB37069#<Reference:0x00005556762173a8>Herbs and SpicesUnknowngenericRoot vegetablesUnknowngeneric