1.0 2010-04-08 22:06:33 UTC 2025-11-18 22:58:22 UTC FDB005146 Sinensiaxanthin Sinensiaxanthin is a member of the class of compounds known as sesterterpenoids. Sesterterpenoids are terpenes composed of five consecutive isoprene units. Sinensiaxanthin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Sinensiaxanthin can be found in apple and sweet orange, which makes sinensiaxanthin a potential biomarker for the consumption of these food products. 5,6-Epoxy-5,6-dihydro-10'-apo-beta,psi-carotene-3,10'-diol C27H38O3 410.5888 410.282095082 6-[(1E,3E,5E,7E,9E,11E,13E)-15-hydroxy-3,7,12-trimethylpentadeca-1,3,5,7,9,11,13-heptaen-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol 6-[(1E,3E,5E,7E,9E,11E,13E)-15-hydroxy-3,7,12-trimethylpentadeca-1,3,5,7,9,11,13-heptaen-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol 7235-40-7 C\C(\C=C\CO)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C InChI=1S/C27H38O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-27-25(4,5)19-24(29)20-26(27,6)30-27/h7-17,24,28-29H,18-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+ GMQZSQMIENYQEB-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 heteropolycyclic compounds Cyclic alcohols and derivatives Dialkyl ethers Epoxides Hydrocarbon derivatives Long-chain fatty alcohols Oxacyclic compounds Oxepanes Primary alcohols Secondary alcohols Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Dialkyl ether Ether Fatty acyl Fatty alcohol Hydrocarbon derivative Long chain fatty alcohol Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Oxirane Primary alcohol Secondary alcohol Sesterterpenoid logp 6.29 ALOGPS logs -5.02 ALOGPS solubility 3.93e-03 g/l ALOGPS logp 4.59 ChemAxon pka_strongest_acidic 15.1 ChemAxon pka_strongest_basic -2.3 ChemAxon iupac 6-[(1E,3E,5E,7E,9E,11E,13E)-15-hydroxy-3,7,12-trimethylpentadeca-1,3,5,7,9,11,13-heptaen-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol ChemAxon average_mass 410.5888 ChemAxon mono_mass 410.282095082 ChemAxon smiles C\C(\C=C\CO)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C ChemAxon formula C27H38O3 ChemAxon inchi InChI=1S/C27H38O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-27-25(4,5)19-24(29)20-26(27,6)30-27/h7-17,24,28-29H,18-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+ ChemAxon inchikey GMQZSQMIENYQEB-JNOJMRGUSA-N ChemAxon polar_surface_area 52.99 ChemAxon refractivity 133.52 ChemAxon polarizability 50.91 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 67134 Specdb::MsMs 67135 Specdb::MsMs 67136 Specdb::MsMs 124869 Specdb::MsMs 124870 Specdb::MsMs 124871 Specdb::MsMs 3601406 Specdb::MsMs 3601407 Specdb::MsMs 3601408 Specdb::MsMs 3601409 Specdb::MsMs 3601410 Specdb::MsMs 3601411 Apple Type 1 specific Malus pumila 283210 Sweet orange Type 1 specific Citrus sinensis 2711