1.02010-04-08 22:10:57 UTC2019-11-26 03:09:10 UTCFDB013860beta-ThujaplicinOccurs in Juniperus communis (juniper). beta-Thujaplicin is found in fruits.β-isopropyltropolonβ-thujaplicinβ-thujaplicine2-Hydroxy-4-(1-methylethyl)-2,4,6-cycloheptatrien-1-one2-hydroxy-4-isopropyl- 2,4,6-cycloheptatriene-1-one2-Hydroxy-4-isopropyl-2,4, 6-cycloheptatrien-1-one2-Hydroxy-4-isopropyl-2,4,6-cyclohepta-2,4,6-trien-1-one2-Hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one2-Hydroxy-4-isopropyl-cyclohepta2,4,6-trien-1-one2-Hydroxy-4-isopropylcyclohepta-2,4,6-trien-1-one2-Hydroxy-4(6)-(1-methylethyl)-2,4,6-cycloheptatrien-1-one, 9CI2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-isopropyl-4-Isopropyl-tropolone4-Isopropyltropolone4(6)-IsopropyltropoloneAlpha-thujaplicinb-Thujaplicinbeta -Isopropyltropolonbeta -Thujaplicinbeta -ThujaplicineBeta-isopropyltropolonBeta-isopropyltropolonebeta-ThujaplicinBeta-thujaplicineHinokitiolHinokitiol 4-IsopropyltropoloneHinokitolIsopropyltropoloneThujaplicin, βThujaplicin, betaTropolone, 4-isopropyl-β-thujaplicinC10H12O2164.2011164.0837296282-hydroxy-6-(propan-2-yl)cyclohepta-2,4,6-trien-1-onehinokitiol499-44-5CC(C)C1=CC(=O)C(O)=CC=C1InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)FUWUEFKEXZQKKA-UHFFFAOYSA-N belongs to the class of organic compounds known as tropolones. Tropolones are compounds containing tropone ring with a hydroxyl group at ring position 2.TropolonesOrganic compoundsHydrocarbon derivativesTroponesTropolonesAromatic homomonocyclic compoundsCyclic ketonesOrganic oxidesAromatic homomonocyclic compoundCyclic ketoneOrganic oxideOrganic oxygen compoundOrganooxygen compoundTropoloneCyclic monoterpenescyclic ketoneenolmonoterpenoidlogp1.80logs-2.13solubility1.21e+00 g/lmelting_pointMp 52-52.5°logp2.06pka_strongest_acidic11.44pka_strongest_basic-2.7iupac2-hydroxy-6-(propan-2-yl)cyclohepta-2,4,6-trien-1-oneaverage_mass164.2011mono_mass164.083729628smilesCC(C)C1=CC(=O)C(O)=CC=C1formulaC10H12O2inchiInChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)inchikeyFUWUEFKEXZQKKA-UHFFFAOYSA-Npolar_surface_area37.3refractivity51.55polarizability17.93rotatable_bond_count1acceptor_count2donor_count1physiological_charge0formal_charge0Specdb::MsIr6851Specdb::MsIr6852Specdb::MsIr6853Specdb::CMs23093Specdb::CMs44255Specdb::CMs134672Specdb::CMs142406Specdb::MsMs44460Specdb::MsMs44461Specdb::MsMs44462Specdb::MsMs173931Specdb::MsMs173932Specdb::MsMs173933Specdb::MsMs439220Specdb::MsMs439221Specdb::MsMs448161Specdb::MsMs2247649Specdb::MsMs2754529Specdb::MsMs2754530Specdb::MsMs2754531Specdb::MsMs2951718Specdb::MsMs2951719Specdb::MsMs2951720HMDB35213#<Reference:0x0000555675a903f0>#<Reference:0x0000555675a901e8>FruitsUnknowngenericphenolicwoody