1.0 2010-04-08 22:12:02 UTC 2019-11-26 03:12:11 UTC FDB015769 3-Hydroxy-beta-ionone Isolated from Phaseolus vulgaris (kidney bean). 3-Hydroxy-beta-ionone is found in pulses, yellow wax bean, and green bean. 3-Hydroxy-9-apo-&beta;-caroten-9-one 3-Hydroxy-b-ionone C13H20O2 208.2967 208.146329884 (3E)-4-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one (3E)-4-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one CC(=O)\C=C\C1=C(C)CC(O)CC1(C)C InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+ HFRZSVYKDDZRQY-AATRIKPKSA-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 Secondary alcohols Acryloyl-group Alcohol Aliphatic homomonocyclic compound Alpha,beta-unsaturated ketone Carbonyl group Cyclofarsesane sesquiterpenoid Enone Hydrocarbon derivative Ionone derivative Ketone Megastigmane sesquiterpenoid Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Sesquiterpenoid logp 2.10 ALOGPS logs -2.46 ALOGPS solubility 7.26e-01 g/l ALOGPS logp 1.89 ChemAxon pka_strongest_acidic 18.91 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (3E)-4-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one ChemAxon average_mass 208.2967 ChemAxon mono_mass 208.146329884 ChemAxon smiles CC(=O)\C=C\C1=C(C)CC(O)CC1(C)C ChemAxon formula C13H20O2 ChemAxon inchi InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3/b6-5+ ChemAxon inchikey HFRZSVYKDDZRQY-AATRIKPKSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 63.49 ChemAxon polarizability 24.05 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11766 Specdb::CMs 45055 Specdb::MsMs 46140 Specdb::MsMs 46141 Specdb::MsMs 46142 Specdb::MsMs 157485 Specdb::MsMs 157486 Specdb::MsMs 157487 HMDB36821 #<Reference:0x000055ce307d6898> Green bean Type 1 specific Phaseolus vulgaris 3885 Pulses Unknown generic Yellow wax bean Type 1 specific Phaseolus vulgaris 3885