1.0 2010-04-08 22:05:06 UTC 2025-11-18 22:32:50 UTC FDB001764 Apo-9-zeaxanthinone Apo-9-zeaxanthinone is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Apo-9-zeaxanthinone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Apo-9-zeaxanthinone can be found in a number of food items such as red bell pepper, yellow bell pepper, green bell pepper, and pepper (c. annuum), which makes apo-9-zeaxanthinone a potential biomarker for the consumption of these food products. C13H20O2 208.2967 208.146329884 (3E)-4-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]but-3-en-2-one (3R)-hydroxy-β-ionone 50281-38-4 O[C@@H]1CC(C)=C(\C=C\C(C)=O)C(C)(C)C1 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+/t11-/m1/s1 HFRZSVYKDDZRQY-MVIFTORASA-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 apo carotenoid monoterpenoid 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-[(4R)-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 O[C@@H]1CC(C)=C(\C=C\C(C)=O)C(C)(C)C1 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+/t11-/m1/s1 ChemAxon inchikey HFRZSVYKDDZRQY-MVIFTORASA-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 131740 Specdb::CMs 139474 Specdb::MsIr 7319 Specdb::MsIr 7320 Specdb::MsIr 7321 Specdb::MsMs 105519 Specdb::MsMs 105520 Specdb::MsMs 105521 Specdb::MsMs 172026 Specdb::MsMs 172027 Specdb::MsMs 172028 Specdb::MsMs 2746717 Specdb::MsMs 2746718 Specdb::MsMs 2746719 Specdb::MsMs 2932260 Specdb::MsMs 2932261 Specdb::MsMs 2932262 Green bell pepper Type 1 specific Capsicum annuum 4072 Italian sweet red pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 Pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072