1.02010-04-08 22:06:39 UTC2019-11-26 03:00:31 UTCFDB005347GermacroneGermacrone is a member of the class of compounds known as germacrane sesquiterpenoids. Germacrane sesquiterpenoids are sesquiterpenoids having the germacrane skeleton, with a structure characterized by a cyclodecane ring substituted with an isopropyl and two methyl groups. Germacrone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Germacrone can be found in common thyme and turmeric, which makes germacrone a potential biomarker for the consumption of these food products. Germacrone is an antiviral isolate of Geranium macrorrhizum .(e,e)-germacroneGermacra-3,7(11),9-trien-6-one, (E,E)-GermacronGermacroneC15H22O218.3346218.167065326(3E,7E)-3,7-dimethyl-10-(propan-2-ylidene)cyclodeca-3,7-dien-1-one(3E,7E)-3,7-dimethyl-10-(propan-2-ylidene)cyclodeca-3,7-dien-1-one6902-91-6CC(C)=C1C\C=C(C)\CC\C=C(C)\CC1=OInChI=1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h7-8H,5-6,9-10H2,1-4H3/b12-8+,13-7+CAULGCQHVOVVRN-SWZPTJTJSA-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 compoundlogp4.61logs-3.24solubility1.26e-01 g/llogp4.11pka_strongest_acidic16.77pka_strongest_basic-4.7iupac(3E,7E)-3,7-dimethyl-10-(propan-2-ylidene)cyclodeca-3,7-dien-1-oneaverage_mass218.3346mono_mass218.167065326smilesCC(C)=C1C\C=C(C)\CC\C=C(C)\CC1=OformulaC15H22OinchiInChI=1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h7-8H,5-6,9-10H2,1-4H3/b12-8+,13-7+inchikeyCAULGCQHVOVVRN-SWZPTJTJSA-Npolar_surface_area17.07refractivity71.78polarizability25.79rotatable_bond_count0acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsMs74445Specdb::MsMs74446Specdb::MsMs74447Specdb::MsMs133830Specdb::MsMs133831Specdb::MsMs133832Common thymeType 1specificThymus vulgaris49992TurmericType 1specificCurcuma longa136217analgesic56An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.anti edemic248anti inflammatory370A substance that reduces or suppresses inflammation.anti stress632Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti tussive674Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti ulcer676One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.hypothermic1023