1.0 2010-04-08 22:12:05 UTC 2019-11-26 03:12:18 UTC FDB015840 Reticulataxanthin Peel constituent of tangerine (Citrus reticulata) and the tangerine hybrid (Minneola tangor). Reticulataxanthin is found in citrus. 3-Hydroxy-6'-methyl-6'-apo-b-caroten-6'-one 3-Hydroxycitraniaxanthin Reticulaxanthin C33H44O2 472.7013 472.334130652 (3Z,5E,7Z,9E,11E,13Z,15E,17Z,19E)-20-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-5,9,14,18-tetramethylicosa-3,5,7,9,11,13,15,17,19-nonaen-2-one (3Z,5E,7Z,9E,11E,13Z,15E,17Z,19E)-20-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-5,9,14,18-tetramethylicosa-3,5,7,9,11,13,15,17,19-nonaen-2-one 28368-09-4 CC(=O)\C=C/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/C33H44O2/c1-25(15-11-17-27(3)19-21-30(6)34)13-9-10-14-26(2)16-12-18-28(4)20-22-32-29(5)23-31(35)24-33(32,7)8/h9-22,31,35H,23-24H2,1-8H3/b10-9+,15-11-,16-12+,21-19-,22-20+,25-13+,26-14-,27-17+,28-18- JNRFHJQRIUJTNO-DBTGPYIJSA-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 Enones Hydrocarbon derivatives Ketones Organic oxides Secondary alcohols Acryloyl-group Alcohol Aliphatic homomonocyclic compound Alpha,beta-unsaturated ketone Carbonyl group Enone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 7.51 ALOGPS logs -5.67 ALOGPS solubility 1.01e-03 g/l ALOGPS melting_point Mp 171-172° logp 7.08 ChemAxon pka_strongest_acidic 18.91 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (3Z,5E,7Z,9E,11E,13Z,15E,17Z,19E)-20-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-5,9,14,18-tetramethylicosa-3,5,7,9,11,13,15,17,19-nonaen-2-one ChemAxon average_mass 472.7013 ChemAxon mono_mass 472.334130652 ChemAxon smiles CC(=O)\C=C/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 C33H44O2 ChemAxon inchi InChI=1S/C33H44O2/c1-25(15-11-17-27(3)19-21-30(6)34)13-9-10-14-26(2)16-12-18-28(4)20-22-32-29(5)23-31(35)24-33(32,7)8/h9-22,31,35H,23-24H2,1-8H3/b10-9+,15-11-,16-12+,21-19-,22-20+,25-13+,26-14-,27-17+,28-18- ChemAxon inchikey JNRFHJQRIUJTNO-DBTGPYIJSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 163.17 ChemAxon polarizability 59.36 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23364 Specdb::CMs 45099 Specdb::CMs 171860 Specdb::MsMs 73359 Specdb::MsMs 73360 Specdb::MsMs 73361 Specdb::MsMs 132534 Specdb::MsMs 132535 Specdb::MsMs 132536 Specdb::MsMs 2370698 Specdb::MsMs 2370699 Specdb::MsMs 2370700 Specdb::MsMs 2568412 Specdb::MsMs 2568413 Specdb::MsMs 2568414 HMDB36882 #<Reference:0x000055ce32e0d2f0> Citrus Unknown generic Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571