1.0 2010-04-08 22:07:07 UTC 2025-11-18 23:01:45 UTC FDB006379 (+)-Dehydrovomifoliol (+)-dehydrovomifoliol, also known as (6s)-6-hydroxy-3-oxo-alpha-ionone, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Thus, (+)-dehydrovomifoliol is considered to be an isoprenoid lipid molecule (+)-dehydrovomifoliol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (+)-dehydrovomifoliol can be found in rice, which makes (+)-dehydrovomifoliol a potential biomarker for the consumption of this food product. C13H18O3 222.284 222.12559444 (4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one dehydrovomifoliol 15764-81-5 [H]\C(=C(\[H])[C@@]1(O)C(C)=CC(=O)CC1(C)C)C(C)=O InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1 JJRYPZMXNLLZFH-URWSZGRFSA-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 Cyclohexenones Enones Hydrocarbon derivatives Organic oxides Tertiary alcohols Acryloyl-group Alcohol Aliphatic homomonocyclic compound Alpha,beta-unsaturated ketone Carbonyl group Cyclic ketone Cyclofarsesane sesquiterpenoid Cyclohexenone Enone Hydrocarbon derivative Ionone derivative Ketone Megastigmane sesquiterpenoid Organic oxide Organic oxygen compound Organooxygen compound Sesquiterpenoid Tertiary alcohol Cyclofarnesane sesquiterpenoids Cyclofarnesane sesquiterpenoids dehydrovomifoliol logp 1.41 ALOGPS logs -2.60 ALOGPS solubility 5.53e-01 g/l ALOGPS logp 1.65 ChemAxon pka_strongest_acidic 13.37 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac (4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one ChemAxon average_mass 222.284 ChemAxon mono_mass 222.12559444 ChemAxon smiles [H]\C(=C(\[H])[C@@]1(O)C(C)=CC(=O)CC1(C)C)C(C)=O ChemAxon formula C13H18O3 ChemAxon inchi InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1 ChemAxon inchikey JJRYPZMXNLLZFH-URWSZGRFSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 63.93 ChemAxon polarizability 24.15 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 66342 Specdb::MsMs 66343 Specdb::MsMs 66344 Specdb::MsMs 123879 Specdb::MsMs 123880 Specdb::MsMs 123881 Specdb::MsMs 3602894 Specdb::MsMs 3602895 Specdb::MsMs 3602896 Specdb::MsMs 3602897 Specdb::MsMs 3602898 Specdb::MsMs 3602899 Rice Type 1 specific Oryza sativa 4530 0.1 0.1 0.1 mg/100 g