1.0 2010-04-08 22:05:06 UTC 2019-11-26 02:56:39 UTC FDB001760 Apo-14'-zeaxanthinal Apo-14'-zeaxanthinal is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Apo-14'-zeaxanthinal is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Apo-14'-zeaxanthinal can be found in a number of food items such as pepper (c. annuum), yellow bell pepper, italian sweet red pepper, and orange bell pepper, which makes apo-14'-zeaxanthinal a potential biomarker for the consumption of these food products. C22H30O2 326.4724 326.224580204 (2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal (2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal 336105-80-7 O=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3/b7-6+,10-8+,13-12+,17-9+,18-11+/t20-/m1/s1 BCNPTKKIVMTZFO-UWYNECTCSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic homomonocyclic compounds Aldehydes Enals Hydrocarbon derivatives Organic oxides Secondary alcohols Alcohol Aldehyde Aliphatic homomonocyclic compound Alpha,beta-unsaturated aldehyde Carbonyl group Diterpenoid Enal Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol logp 5.86 ALOGPS logs -4.70 ALOGPS solubility 6.46e-03 g/l ALOGPS logp 4 ChemAxon pka_strongest_acidic 18.91 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal ChemAxon average_mass 326.4724 ChemAxon mono_mass 326.224580204 ChemAxon smiles O=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C ChemAxon formula C22H30O2 ChemAxon inchi InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3/b7-6+,10-8+,13-12+,17-9+,18-11+/t20-/m1/s1 ChemAxon inchikey BCNPTKKIVMTZFO-UWYNECTCSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 108.85 ChemAxon polarizability 40.33 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 63747 Specdb::MsMs 63748 Specdb::MsMs 63749 Specdb::MsMs 120744 Specdb::MsMs 120745 Specdb::MsMs 120746 Specdb::MsMs 3598369 Specdb::MsMs 3598370 Specdb::MsMs 3598371 Specdb::MsMs 3598372 Specdb::MsMs 3598373 Specdb::MsMs 3598374 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