1.0 2010-04-08 22:13:45 UTC 2019-11-26 03:16:15 UTC FDB018510 Tangeraxanthin Isolated from tangerine peel. Tangeraxanthin is found in citrus. 3-Hydroxy-4,5'-retro-5'-apo-b-caroten-5'-one C34H44O2 484.712 484.334130652 (3E,5E,7E,9E,11Z,13E,15E,17E,19Z)-21-[(1Z)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-ylidene]-6,10,15,19-tetramethylhenicosa-3,5,7,9,11,13,15,17,19-nonaen-2-one (3E,5E,7E,9E,11Z,13E,15E,17E,19Z)-21-[(1Z)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-ylidene]-6,10,15,19-tetramethylhenicosa-3,5,7,9,11,13,15,17,19-nonaen-2-one CC(=O)\C=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/C34H44O2/c1-26(16-11-18-28(3)20-13-21-31(6)35)14-9-10-15-27(2)17-12-19-29(4)22-23-33-30(5)24-32(36)25-34(33,7)8/h9-24,32,36H,25H2,1-8H3/b14-9-,15-10+,18-11+,19-12+,21-13+,26-16+,27-17+,28-20+,29-22-,33-23+ KQBKJSVYIBRYNQ-KKMFPEKASA-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 7.77 ALOGPS logs -5.65 ALOGPS solubility 1.09e-03 g/l ALOGPS logp 7.32 ChemAxon pka_strongest_acidic 18.23 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac (3E,5E,7E,9E,11Z,13E,15E,17E,19Z)-21-[(1Z)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-ylidene]-6,10,15,19-tetramethylhenicosa-3,5,7,9,11,13,15,17,19-nonaen-2-one ChemAxon average_mass 484.712 ChemAxon mono_mass 484.334130652 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\C=C1/C(C)=CC(O)CC1(C)C ChemAxon formula C34H44O2 ChemAxon inchi InChI=1S/C34H44O2/c1-26(16-11-18-28(3)20-13-21-31(6)35)14-9-10-15-27(2)17-12-19-29(4)22-23-33-30(5)24-32(36)25-34(33,7)8/h9-24,32,36H,25H2,1-8H3/b14-9-,15-10+,18-11+,19-12+,21-13+,26-16+,27-17+,28-20+,29-22-,33-23+ ChemAxon inchikey KQBKJSVYIBRYNQ-KKMFPEKASA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 168.73 ChemAxon polarizability 61.74 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23803 Specdb::CMs 46205 Specdb::CMs 167061 Specdb::MsMs 90105 Specdb::MsMs 90106 Specdb::MsMs 90107 Specdb::MsMs 153183 Specdb::MsMs 153184 Specdb::MsMs 153185 Specdb::MsMs 2445079 Specdb::MsMs 2445080 Specdb::MsMs 2445081 Specdb::MsMs 2516793 Specdb::MsMs 2516794 Specdb::MsMs 2516795 HMDB39015 #<Reference:0x000055ce3317ec68> Citrus Unknown generic Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571