1.0 2010-04-08 22:13:48 UTC 2019-11-26 03:16:21 UTC FDB018588 Hydroxysintaxanthin 5,6-epoxide Present in juice of Citrus sinensis. Hydroxysintaxanthin 5,6-epoxide is found in citrus. 5,6-Epoxy-3-hydroxy-5,6,7',8'-tetrahydro-7'-apo-b-caroten-8'-one Hydroxysintaxanthin 5,6-epoxide C31H42O3 462.6634 462.31339521 (3E,5E,7E,9Z,11E,13E,15Z,17E)-18-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-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-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-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\C12OC1(C)CC(O)CC2(C)C InChI=1S/C31H42O3/c1-23(13-9-10-14-24(2)17-12-18-26(4)27(5)32)15-11-16-25(3)19-20-31-29(6,7)21-28(33)22-30(31,8)34-31/h9-20,28,33H,21-22H2,1-8H3/b10-9-,15-11+,17-12+,20-19+,23-13+,24-14+,25-16-,26-18+ HPOMATRGLHSHPK-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 heteropolycyclic compounds Acryloyl compounds Alpha-branched alpha,beta-unsaturated ketones Cyclic alcohols and derivatives Dialkyl ethers Enones Epoxides Hydrocarbon derivatives Ketones Organic oxides Oxacyclic compounds Oxepanes Secondary alcohols Acryloyl-group Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated ketone Alpha-branched alpha,beta-unsaturated-ketone Carbonyl group Cyclic alcohol Dialkyl ether Enone Ether Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Oxirane Secondary alcohol Triterpenoid logp 6.98 ALOGPS logs -5.56 ALOGPS solubility 1.27e-03 g/l ALOGPS logp 6.16 ChemAxon pka_strongest_acidic 15.14 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (3E,5E,7E,9Z,11E,13E,15Z,17E)-18-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one ChemAxon average_mass 462.6634 ChemAxon mono_mass 462.31339521 ChemAxon smiles CC(=O)C(\C)=C\C=C\C(\C)=C\C=C/C=C(\C)/C=C/C=C(/C)\C=C\C12OC1(C)CC(O)CC2(C)C ChemAxon formula C31H42O3 ChemAxon inchi InChI=1S/C31H42O3/c1-23(13-9-10-14-24(2)17-12-18-26(4)27(5)32)15-11-16-25(3)19-20-31-29(6,7)21-28(33)22-30(31,8)34-31/h9-20,28,33H,21-22H2,1-8H3/b10-9-,15-11+,17-12+,20-19+,23-13+,24-14+,25-16-,26-18+ ChemAxon inchikey HPOMATRGLHSHPK-MBEKKZSISA-N ChemAxon polar_surface_area 49.83 ChemAxon refractivity 151.61 ChemAxon polarizability 57.55 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10918 Specdb::CMs 46254 Specdb::CMs 158900 Specdb::MsMs 99228 Specdb::MsMs 99229 Specdb::MsMs 99230 Specdb::MsMs 164343 Specdb::MsMs 164344 Specdb::MsMs 164345 Specdb::MsMs 2803836 Specdb::MsMs 2803837 Specdb::MsMs 2803838 Specdb::MsMs 2875187 Specdb::MsMs 2875188 Specdb::MsMs 2875189 HMDB39086 #<Reference:0x000055ce333da750> Citrus Unknown generic