1.0 2020-04-02 17:50:16 UTC 2025-11-19 03:07:52 UTC FDB097339 Physalien C28H30N2O16 650.546 650.159532894 (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-(hexadecanoyloxy)-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl hexadecanoate zeaxanthin dipalmitate O[C@H]1[C@H](O)[C@@H](OC(=O)CCCC(O)=O)O[C@H](OC2=C([O-])C=C3C(C[C@@H](C(O)=O)[N+]3=CC=C3C[C@H](NC(=C3)C(O)=O)C(O)=O)=C2)[C@@H]1O InChI=1S/C28H30N2O16/c31-17-10-15-12(8-16(26(42)43)30(15)5-4-11-6-13(24(38)39)29-14(7-11)25(40)41)9-18(17)44-27-22(36)21(35)23(37)28(46-27)45-20(34)3-1-2-19(32)33/h4-6,9-10,14,16,21-23,27-28,35-37H,1-3,7-8H2,(H5,31,32,33,38,39,40,41,42,43)/t14-,16-,21+,22+,23-,27-,28-/m0/s1 DCGMVLYJFORYIG-VADZYMSXSA-N belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. Xanthophylls Organic compounds Lipids and lipid-like molecules Prenol lipids Tetraterpenoids Aliphatic homomonocyclic compounds Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Xanthophyll C40 isoprenoids (tetraterpenes) xanthophyll logp 11.01 ALOGPS logs -7.23 ALOGPS solubility 6.15e-05 g/l ALOGPS logp 22.19 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-(hexadecanoyloxy)-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl hexadecanoate ChemAxon average_mass 650.546 ChemAxon mono_mass 650.159532894 ChemAxon smiles O[C@H]1[C@H](O)[C@@H](OC(=O)CCCC(O)=O)O[C@H](OC2=C([O-])C=C3C(C[C@@H](C(O)=O)[N+]3=CC=C3C[C@H](NC(=C3)C(O)=O)C(O)=O)=C2)[C@@H]1O ChemAxon formula C28H30N2O16 ChemAxon inchi InChI=1S/C28H30N2O16/c31-17-10-15-12(8-16(26(42)43)30(15)5-4-11-6-13(24(38)39)29-14(7-11)25(40)41)9-18(17)44-27-22(36)21(35)23(37)28(46-27)45-20(34)3-1-2-19(32)33/h4-6,9-10,14,16,21-23,27-28,35-37H,1-3,7-8H2,(H5,31,32,33,38,39,40,41,42,43)/t14-,16-,21+,22+,23-,27-,28-/m0/s1 ChemAxon inchikey DCGMVLYJFORYIG-VADZYMSXSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 342.13 ChemAxon polarizability 142.51 ChemAxon rotatable_bond_count 42 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 85800 Specdb::MsMs 85801 Specdb::MsMs 85802 Specdb::MsMs 147966 Specdb::MsMs 147967 Specdb::MsMs 147968 Specdb::MsMs 3610186 Specdb::MsMs 3610187 Specdb::MsMs 3610188 Specdb::MsMs 3610189 Specdb::MsMs 3610190 Specdb::MsMs 3610191 Groundcherry Type 1 specific Physalis 24663 Milk (Cow) Type 2 specific 38.19 103.0 0.76 uM