1.02010-04-08 22:11:46 UTC2019-11-26 03:11:25 UTCFDB015314ProcurcumenolConstituent of the dried rhizomes of Curcuma zedoaria (zedoary) and Curcuma longa (turmeric). Procurcumenol is found in turmeric and herbs and spices.ProcurcumenolC15H22O2234.334234.1619799483-hydroxy-3,8-dimethyl-5-(propan-2-ylidene)-1,2,3,3a,4,5,6,8a-octahydroazulen-6-one1-hydroxy-1,4-dimethyl-7-(propan-2-ylidene)-3,3a,8,8a-tetrahydro-2H-azulen-6-one21698-40-8CC(C)=C1CC2C(CCC2(C)O)C(C)=CC1=OInChI=1S/C15H22O2/c1-9(2)12-8-13-11(5-6-15(13,4)17)10(3)7-14(12)16/h7,11,13,17H,5-6,8H2,1-4H3RHBOHEXDGUVIIY-UHFFFAOYSA-N belongs to the class of organic compounds known as guaianes. These are sesquiterpenoids with a structure based on the guaiane skeleton. Guaiane is a bicyclic compound consisting of a decahydroazulene moiety, substituted with two methyl groups and a 1-methylethyl group at the 1-, 4-, and 7-position, respectively.GuaianesOrganic compoundsLipids and lipid-like moleculesPrenol lipidsSesquiterpenoidsAliphatic homopolycyclic compoundsCyclic alcohols and derivativesCyclic ketonesHydrocarbon derivativesOrganic oxidesTertiary alcoholsAlcoholAliphatic homopolycyclic compoundCarbonyl groupCyclic alcoholCyclic ketoneGuaiane sesquiterpenoidHydrocarbon derivativeKetoneOrganic oxideOrganic oxygen compoundOrganooxygen compoundTertiary alcohollogp2.40logs-2.90solubility2.92e-01 g/llogp2.78pka_strongest_acidic18.69pka_strongest_basic-0.67iupac3-hydroxy-3,8-dimethyl-5-(propan-2-ylidene)-1,2,3,3a,4,5,6,8a-octahydroazulen-6-oneaverage_mass234.334mono_mass234.161979948smilesCC(C)=C1CC2C(CCC2(C)O)C(C)=CC1=OformulaC15H22O2inchiInChI=1S/C15H22O2/c1-9(2)12-8-13-11(5-6-15(13,4)17)10(3)7-14(12)16/h7,11,13,17H,5-6,8H2,1-4H3inchikeyRHBOHEXDGUVIIY-UHFFFAOYSA-Npolar_surface_area37.3refractivity70.68polarizability27.19rotatable_bond_count0acceptor_count2donor_count1physiological_charge0formal_charge0Specdb::CMs22690Specdb::CMs44866Specdb::CMs152754Specdb::MsMs11741Specdb::MsMs11742Specdb::MsMs11743Specdb::MsMs18413Specdb::MsMs18414Specdb::MsMs18415Specdb::MsMs2400273Specdb::MsMs2400274Specdb::MsMs2400275Specdb::MsMs2538977Specdb::MsMs2538978Specdb::MsMs2538979HMDB36427#<Reference:0x0000555675c568d8>Herbs and SpicesUnknowngenericTurmericType 1specificCurcuma longa136217anti inflammatory370A substance that reduces or suppresses inflammation.anti TNF659A substance that diminishes the rate of a chemical reaction.