1.0 2020-04-02 17:44:03 UTC 2025-11-19 03:07:45 UTC FDB097272 Echinenone C11H19NO6 261.2717 261.121237345 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-one echinenone C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCC(O)=O InChI=1S/C11H19NO6/c1-12(2,3)7-8(6-10(15)16)18-11(17)5-4-9(13)14/h8H,4-7H2,1-3H3,(H-,13,14,15,16) HAEVNYBCYZZDFL-UHFFFAOYSA-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 Cyclohexenones Hydrocarbon derivatives Organic oxides Aliphatic homomonocyclic compound Carbonyl group Cyclic ketone Cyclohexenone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Xanthophyll C40 isoprenoids (tetraterpenes) C40 isoprenoids (tetraterpenes) carotenone logp 9.22 ALOGPS logs -6.08 ALOGPS solubility 4.61e-04 g/l ALOGPS logp 10.46 ChemAxon pka_strongest_acidic 19.89 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-one ChemAxon average_mass 261.2717 ChemAxon mono_mass 261.121237345 ChemAxon smiles C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCC(O)=O ChemAxon formula C11H19NO6 ChemAxon inchi InChI=1S/C11H19NO6/c1-12(2,3)7-8(6-10(15)16)18-11(17)5-4-9(13)14/h8H,4-7H2,1-3H3,(H-,13,14,15,16) ChemAxon inchikey HAEVNYBCYZZDFL-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 192.3 ChemAxon polarizability 71.93 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 240487 Specdb::MsMs 240488 Specdb::MsMs 240489 Specdb::MsMs 242542 Specdb::MsMs 242543 Specdb::MsMs 242544 Specdb::CMs 1090252 Specdb::EiMs 3940 Milk (Cow) Type 2 specific 19.354875 117.0 0.202 uM