1.0 2010-04-08 22:05:06 UTC 2025-11-18 22:32:49 UTC FDB001758 Apo-10'-zeaxanthinal 3-hydroxy-10'-apo-b,y-carotenal is a member of the class of compounds known as sesterterpenoids. Sesterterpenoids are terpenes composed of five consecutive isoprene units. 3-hydroxy-10'-apo-b,y-carotenal is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 3-hydroxy-10'-apo-b,y-carotenal can be found in citrus, which makes 3-hydroxy-10'-apo-b,y-carotenal a potential biomarker for the consumption of this food product. C27H36O2 392.5735 392.271530396 (2E,4E,6E,8E,10E,12E,14E)-15-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-4,9,13-trimethylpentadeca-2,4,6,8,10,12,14-heptaenal (2E,4E,6E,8E,10E,12E,14E)-15-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-4,9,13-trimethylpentadeca-2,4,6,8,10,12,14-heptaenal 62742-01-2 C\C(\C=C\C=O)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C InChI=1S/C27H36O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-18,25,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+ HQPQTQQUHPFUOA-JNOJMRGUSA-N belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units. Sesterterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesterterpenoids Aliphatic homomonocyclic compounds Aldehydes Enals Hydrocarbon derivatives Organic oxides Secondary alcohols Alcohol Aldehyde Aliphatic homomonocyclic compound Alpha,beta-unsaturated aldehyde Carbonyl group Enal Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Sesterterpenoid logp 6.56 ALOGPS logs -5.29 ALOGPS solubility 2.03e-03 g/l ALOGPS logp 5.29 ChemAxon pka_strongest_acidic 18.91 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (2E,4E,6E,8E,10E,12E,14E)-15-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-4,9,13-trimethylpentadeca-2,4,6,8,10,12,14-heptaenal ChemAxon average_mass 392.5735 ChemAxon mono_mass 392.271530396 ChemAxon smiles C\C(\C=C\C=O)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C ChemAxon formula C27H36O2 ChemAxon inchi InChI=1S/C27H36O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-18,25,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+ ChemAxon inchikey HQPQTQQUHPFUOA-JNOJMRGUSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 133.77 ChemAxon polarizability 49.31 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25137 Specdb::CMs 46207 Specdb::CMs 133297 Specdb::CMs 141031 Specdb::MsMs 83436 Specdb::MsMs 83437 Specdb::MsMs 83438 Specdb::MsMs 145035 Specdb::MsMs 145036 Specdb::MsMs 145037 Specdb::MsMs 3055841 Specdb::MsMs 3055842 Specdb::MsMs 3055843 Specdb::MsMs 3111974 Specdb::MsMs 3111975 Specdb::MsMs 3111976 HMDB0039019 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