1.0 2010-04-08 22:05:06 UTC 2025-11-18 22:32:50 UTC FDB001762 Apo-13-zeaxanthinone Apo-13-zeaxanthinone is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Apo-13-zeaxanthinone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Apo-13-zeaxanthinone can be found in a number of food items such as red bell pepper, italian sweet red pepper, pepper (c. annuum), and orange bell pepper, which makes apo-13-zeaxanthinone a potential biomarker for the consumption of these food products. C18H26O2 274.3978 274.193280076 (3E,5E,7E)-8-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-6-methylocta-3,5,7-trien-2-one (3E,5E,7E)-8-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-6-methylocta-3,5,7-trien-2-one 336105-81-8 O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(C)=O)C(C)(C)C1 InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1 JLNMEHQAHDSEEE-YSAUQHOWSA-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 Ketone Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Sesquiterpenoid logp 4.79 ALOGPS logs -3.99 ALOGPS solubility 2.84e-02 g/l ALOGPS logp 3.19 ChemAxon pka_strongest_acidic 18.91 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (3E,5E,7E)-8-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-6-methylocta-3,5,7-trien-2-one ChemAxon average_mass 274.3978 ChemAxon mono_mass 274.193280076 ChemAxon smiles O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(C)=O)C(C)(C)C1 ChemAxon formula C18H26O2 ChemAxon inchi InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1 ChemAxon inchikey JLNMEHQAHDSEEE-YSAUQHOWSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 88.41 ChemAxon polarizability 33.45 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 91728 Specdb::MsMs 91729 Specdb::MsMs 91730 Specdb::MsMs 155187 Specdb::MsMs 155188 Specdb::MsMs 155189 Specdb::MsMs 3598378 Specdb::MsMs 3598379 Specdb::MsMs 3598380 Specdb::MsMs 3598381 Specdb::MsMs 3598382 Specdb::MsMs 3598383 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