1.0 2010-04-08 22:10:57 UTC 2019-11-26 03:09:10 UTC FDB013860 beta-Thujaplicin Occurs in Juniperus communis (juniper). beta-Thujaplicin is found in fruits. β-isopropyltropolon β-thujaplicin β-thujaplicine 2-Hydroxy-4-(1-methylethyl)-2,4,6-cycloheptatrien-1-one 2-hydroxy-4-isopropyl- 2,4,6-cycloheptatriene-1-one 2-Hydroxy-4-isopropyl-2,4, 6-cycloheptatrien-1-one 2-Hydroxy-4-isopropyl-2,4,6-cyclohepta-2,4,6-trien-1-one 2-Hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one 2-Hydroxy-4-isopropyl-cyclohepta2,4,6-trien-1-one 2-Hydroxy-4-isopropylcyclohepta-2,4,6-trien-1-one 2-Hydroxy-4(6)-(1-methylethyl)-2,4,6-cycloheptatrien-1-one, 9CI 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)- 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-isopropyl- 4-Isopropyl-tropolone 4-Isopropyltropolone 4(6)-Isopropyltropolone Alpha-thujaplicin b-Thujaplicin beta -Isopropyltropolon beta -Thujaplicin beta -Thujaplicine Beta-isopropyltropolon Beta-isopropyltropolone beta-Thujaplicin Beta-thujaplicine Hinokitiol Hinokitiol 4-Isopropyltropolone Hinokitol Isopropyltropolone Thujaplicin, β Thujaplicin, beta Tropolone, 4-isopropyl- β-thujaplicin C10H12O2 164.2011 164.083729628 2-hydroxy-6-(propan-2-yl)cyclohepta-2,4,6-trien-1-one hinokitiol 499-44-5 CC(C)C1=CC(=O)C(O)=CC=C1 InChI=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. Tropolones Organic compounds Hydrocarbon derivatives Tropones Tropolones Aromatic homomonocyclic compounds Cyclic ketones Organic oxides Aromatic homomonocyclic compound Cyclic ketone Organic oxide Organic oxygen compound Organooxygen compound Tropolone Cyclic monoterpenes cyclic ketone enol monoterpenoid logp 1.80 ALOGPS logs -2.13 ALOGPS solubility 1.21e+00 g/l ALOGPS melting_point Mp 52-52.5° logp 2.06 ChemAxon pka_strongest_acidic 11.44 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 2-hydroxy-6-(propan-2-yl)cyclohepta-2,4,6-trien-1-one ChemAxon average_mass 164.2011 ChemAxon mono_mass 164.083729628 ChemAxon smiles CC(C)C1=CC(=O)C(O)=CC=C1 ChemAxon formula C10H12O2 ChemAxon inchi InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12) ChemAxon inchikey FUWUEFKEXZQKKA-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 51.55 ChemAxon polarizability 17.93 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6851 Specdb::MsIr 6852 Specdb::MsIr 6853 Specdb::CMs 23093 Specdb::CMs 44255 Specdb::CMs 134672 Specdb::CMs 142406 Specdb::MsMs 44460 Specdb::MsMs 44461 Specdb::MsMs 44462 Specdb::MsMs 173931 Specdb::MsMs 173932 Specdb::MsMs 173933 Specdb::MsMs 439220 Specdb::MsMs 439221 Specdb::MsMs 448161 Specdb::MsMs 2247649 Specdb::MsMs 2754529 Specdb::MsMs 2754530 Specdb::MsMs 2754531 Specdb::MsMs 2951718 Specdb::MsMs 2951719 Specdb::MsMs 2951720 HMDB35213 #<Reference:0x000055ce31827eb8> #<Reference:0x000055ce31827d00> Fruits Unknown generic phenolic woody