1.0 2010-04-08 22:11:13 UTC 2019-11-26 03:09:53 UTC FDB014351 3-Hydroxysintaxanthin Isolated from the peel of Sinton citrangequat. 3-Hydroxysintaxanthin is found in sweet orange, citrus, and avocado. 3-Hydroxysintaxanthin C31H42O2 446.664 446.318480588 (3E,5E,7E,9Z,11E,13E,15Z,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one (3E,5E,7E,9Z,11E,13E,15Z,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one CC(=O)C(\C)=C\C=C\C(\C)=C\C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C InChI=1S/C31H42O2/c1-23(13-9-10-14-24(2)17-12-18-26(4)28(6)32)15-11-16-25(3)19-20-30-27(5)21-29(33)22-31(30,7)8/h9-20,29,33H,21-22H2,1-8H3/b10-9-,15-11+,17-12+,20-19+,23-13+,24-14+,25-16-,26-18+ PJAPZIZSFGWFOQ-MBEKKZSISA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic homomonocyclic compounds Acryloyl compounds Alpha-branched alpha,beta-unsaturated ketones Enones Hydrocarbon derivatives Ketones Organic oxides Secondary alcohols Acryloyl-group Alcohol Aliphatic homomonocyclic compound Alpha,beta-unsaturated ketone Alpha-branched alpha,beta-unsaturated-ketone Carbonyl group Enone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 7.22 ALOGPS logs -5.65 ALOGPS solubility 1.01e-03 g/l ALOGPS logp 6.71 ChemAxon pka_strongest_acidic 18.91 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (3E,5E,7E,9Z,11E,13E,15Z,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one ChemAxon average_mass 446.664 ChemAxon mono_mass 446.318480588 ChemAxon smiles CC(=O)C(\C)=C\C=C\C(\C)=C\C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(C)CC(O)CC1(C)C ChemAxon formula C31H42O2 ChemAxon inchi InChI=1S/C31H42O2/c1-23(13-9-10-14-24(2)17-12-18-26(4)28(6)32)15-11-16-25(3)19-20-30-27(5)21-29(33)22-31(30,7)8/h9-20,29,33H,21-22H2,1-8H3/b10-9-,15-11+,17-12+,20-19+,23-13+,24-14+,25-16-,26-18+ ChemAxon inchikey PJAPZIZSFGWFOQ-MBEKKZSISA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 152.92 ChemAxon polarizability 56.52 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21336 Specdb::CMs 44472 Specdb::CMs 137526 Specdb::CMs 145260 Specdb::MsMs 92799 Specdb::MsMs 92800 Specdb::MsMs 92801 Specdb::MsMs 156480 Specdb::MsMs 156481 Specdb::MsMs 156482 Specdb::MsMs 2333600 Specdb::MsMs 2333601 Specdb::MsMs 2333602 Specdb::MsMs 2632088 Specdb::MsMs 2632089 Specdb::MsMs 2632090 HMDB35641 #<Reference:0x000055ce305143f8> Avocado Type 1 specific Persea americana 3435 Citrus Unknown generic Sweet orange Type 1 specific Citrus sinensis 2711