1.0 2020-04-02 17:37:03 UTC 2025-11-19 03:07:42 UTC FDB097247 Carotene-zeta C40H78NO7P 716.0236 715.551590367 (6E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene all-trans-zeta-carotene [H][C@@](COCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-40(42)48-39(38-47-49(43,44)46-36-34-41(3,4)5)37-45-35-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,39H,6-13,15,17-19,22-38H2,1-5H3/b16-14-,21-20-/t39-/m1/s1 IWGRIIUADPXTSC-UESLNCBNSA-N belongs to the class of organic compounds known as carotenes. These are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They 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. Carotenes Organic compounds Lipids and lipid-like molecules Prenol lipids Tetraterpenoids Aliphatic acyclic compounds Acyclic olefins Branched unsaturated hydrocarbons Unsaturated aliphatic hydrocarbons Acyclic olefin Aliphatic acyclic compound Branched unsaturated hydrocarbon Carotene Hydrocarbon Olefin Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon C40 isoprenoids (tetraterpenes) C40 isoprenoids (tetraterpenes) Carotenoids zeta-carotene logp 9.38 ALOGPS logs -6.21 ALOGPS solubility 3.37e-04 g/l ALOGPS logp 12.66 ChemAxon iupac (6E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene ChemAxon average_mass 716.0236 ChemAxon mono_mass 715.551590367 ChemAxon smiles [H][C@@](COCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C40H78NO7P ChemAxon inchi InChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-40(42)48-39(38-47-49(43,44)46-36-34-41(3,4)5)37-45-35-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,39H,6-13,15,17-19,22-38H2,1-5H3/b16-14-,21-20-/t39-/m1/s1 ChemAxon inchikey IWGRIIUADPXTSC-UESLNCBNSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 195.57 ChemAxon polarizability 74.1 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 71673 Specdb::MsMs 239566 Specdb::MsMs 239567 Specdb::MsMs 239568 Specdb::MsMs 241621 Specdb::MsMs 241622 Specdb::MsMs 241623 Specdb::MsMs 2252518 Specdb::MsMs 2253951 Specdb::MsMs 2405300 Specdb::MsMs 2405301 Specdb::MsMs 2405302 Specdb::MsMs 2530521 Specdb::MsMs 2530522 Specdb::MsMs 2530523 Apple Type 1 specific Malus pumila 283210 Carrot Type 1 specific Daucus carota ssp. sativus 79200 Corn Type 1 specific Zea mays 4577 Garden tomato Type 1 specific Solanum lycopersicum 4081 Milk (Cow) Type 2 specific 100.0165 450.0 0.11 uM Papaya Type 1 specific Carica papaya 3649 Sweet orange Type 1 specific Citrus sinensis 2711 Vaccinium (Blueberry, Cranberry, Huckleberry) Type 1 specific Vaccinium 13749