1.0 2010-04-08 22:06:38 UTC 2019-11-26 03:00:30 UTC FDB005319 4-Hydroxybisabola-2,10-dien-9-one 4-hydroxybisabola-2,10-dien-9-one is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 4-hydroxybisabola-2,10-dien-9-one is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 4-hydroxybisabola-2,10-dien-9-one can be found in turmeric, which makes 4-hydroxybisabola-2,10-dien-9-one a potential biomarker for the consumption of this food product. C15H24O2 236.3499 236.177630012 (6S)-6-[(1R,4R)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-en-4-one (6S)-6-[(1R,4R)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-en-4-one [H][C@@]1(CC[C@@](C)(O)C=C1)[C@@H](C)CC(=O)C=C(C)C InChI=1S/C15H24O2/c1-11(2)9-14(16)10-12(3)13-5-7-15(4,17)8-6-13/h5,7,9,12-13,17H,6,8,10H2,1-4H3/t12-,13+,15-/m0/s1 OZDOAMOSJAOPRV-GUTXKFCHSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homomonocyclic compounds Acryloyl compounds Enones Hydrocarbon derivatives Ketones Organic oxides Tertiary alcohols Acryloyl-group Alcohol Aliphatic homomonocyclic compound Alpha,beta-unsaturated ketone Bisabolane sesquiterpenoid Carbonyl group Enone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Sesquiterpenoid Tertiary alcohol logp 2.72 ALOGPS logs -3.18 ALOGPS solubility 1.55e-01 g/l ALOGPS logp 3.21 ChemAxon pka_strongest_acidic 18.17 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac (6S)-6-[(1R,4R)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-en-4-one ChemAxon average_mass 236.3499 ChemAxon mono_mass 236.177630012 ChemAxon smiles [H][C@@]1(CC[C@@](C)(O)C=C1)[C@@H](C)CC(=O)C=C(C)C ChemAxon formula C15H24O2 ChemAxon inchi InChI=1S/C15H24O2/c1-11(2)9-14(16)10-12(3)13-5-7-15(4,17)8-6-13/h5,7,9,12-13,17H,6,8,10H2,1-4H3/t12-,13+,15-/m0/s1 ChemAxon inchikey OZDOAMOSJAOPRV-GUTXKFCHSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 73 ChemAxon polarizability 27.95 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 82323 Specdb::MsMs 82324 Specdb::MsMs 82325 Specdb::MsMs 143649 Specdb::MsMs 143650 Specdb::MsMs 143651 Specdb::MsMs 3601667 Specdb::MsMs 3601668 Specdb::MsMs 3601669 Specdb::MsMs 3601670 Specdb::MsMs 3601671 Specdb::MsMs 3601672 Turmeric Type 1 specific Curcuma longa 136217