1.0 2010-04-08 22:13:30 UTC 2019-11-26 03:15:43 UTC FDB018103 xi-2-Hydroxy-1,3,5-bisabolatrien-9-one Constituent of Curcuma longa (turmeric). xi-2-Hydroxy-1,3,5-bisabolatrien-9-one is found in herbs and spices. C15H22O2 234.334 234.161979948 2-(3-hydroxy-4-methylphenyl)-6-methylheptan-4-one 2-(3-hydroxy-4-methylphenyl)-6-methylheptan-4-one CC(C)CC(=O)CC(C)C1=CC(O)=C(C)C=C1 InChI=1S/C15H22O2/c1-10(2)7-14(16)8-12(4)13-6-5-11(3)15(17)9-13/h5-6,9-10,12,17H,7-8H2,1-4H3 VLJVBISZYRTNJO-UHFFFAOYSA-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 Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aromatic monoterpenoids Hydrocarbon derivatives Ketones Organic oxides Ortho cresols Toluenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenoid Bisabolane sesquiterpenoid Carbonyl group Hydrocarbon derivative Ketone Monocyclic benzene moiety O-cresol Organic oxide Organic oxygen compound Organooxygen compound P-cymene Phenol Sesquiterpenoid Toluene logp 3.99 ALOGPS logs -3.65 ALOGPS solubility 5.23e-02 g/l ALOGPS logp 4.31 ChemAxon pka_strongest_acidic 9.81 ChemAxon pka_strongest_basic -6 ChemAxon iupac 2-(3-hydroxy-4-methylphenyl)-6-methylheptan-4-one ChemAxon average_mass 234.334 ChemAxon mono_mass 234.161979948 ChemAxon smiles CC(C)CC(=O)CC(C)C1=CC(O)=C(C)C=C1 ChemAxon formula C15H22O2 ChemAxon inchi InChI=1S/C15H22O2/c1-10(2)7-14(16)8-12(4)13-6-5-11(3)15(17)9-13/h5-6,9-10,12,17H,7-8H2,1-4H3 ChemAxon inchikey VLJVBISZYRTNJO-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 70.86 ChemAxon polarizability 27.6 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22022 Specdb::CMs 45988 Specdb::CMs 150717 Specdb::MsMs 97977 Specdb::MsMs 97978 Specdb::MsMs 97979 Specdb::MsMs 162789 Specdb::MsMs 162790 Specdb::MsMs 162791 Specdb::MsMs 2440594 Specdb::MsMs 2440595 Specdb::MsMs 2440596 Specdb::MsMs 2525586 Specdb::MsMs 2525587 Specdb::MsMs 2525588 HMDB38698 #<Reference:0x000055ce31c6e670> Herbs and Spices Unknown generic