1.0 2020-04-02 17:36:58 UTC 2025-11-19 03:07:42 UTC FDB097246 Carotene-gamma C44H82NO7P 768.114 767.582890982 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-1,3,3-trimethylcyclohex-1-ene gamma-carotene [H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,27,29,43H,6-8,10,12-14,16,18-20,22,24-26,28,30-42H2,1-5H3/b11-9-,17-15-,23-21-,29-27-/t43-/m1/s1 IQGMAFMVIYAJCQ-WHZQUDHQSA-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 homomonocyclic compounds Branched unsaturated hydrocarbons Cycloalkenes Unsaturated aliphatic hydrocarbons Aliphatic homomonocyclic compound Branched unsaturated hydrocarbon Carotene Cyclic olefin Cycloalkene Hydrocarbon Olefin Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon C40 isoprenoids (tetraterpenes) C40 isoprenoids (tetraterpenes) Carotenoids cyclic carotene logp 9.59 ALOGPS logs -6.15 ALOGPS solubility 3.77e-04 g/l ALOGPS logp 11.53 ChemAxon iupac 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-1,3,3-trimethylcyclohex-1-ene ChemAxon average_mass 768.114 ChemAxon mono_mass 767.582890982 ChemAxon smiles [H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C44H82NO7P ChemAxon inchi InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,27,29,43H,6-8,10,12-14,16,18-20,22,24-26,28,30-42H2,1-5H3/b11-9-,17-15-,23-21-,29-27-/t43-/m1/s1 ChemAxon inchikey IQGMAFMVIYAJCQ-WHZQUDHQSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 194.71 ChemAxon polarizability 73 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 73168 Specdb::MsMs 241054 Specdb::MsMs 241055 Specdb::MsMs 241056 Specdb::MsMs 243109 Specdb::MsMs 243110 Specdb::MsMs 243111 Specdb::MsMs 1471066 Specdb::MsMs 2745575 Specdb::MsMs 2745576 Specdb::MsMs 2745577 Specdb::MsMs 2936320 Specdb::MsMs 2936321 Specdb::MsMs 2936322 Apricot Type 1 specific Prunus armeniaca 36596 Carrot Type 1 specific Daucus carota ssp. sativus 79200 Common persimmon Type 1 specific Diospyros virginiana 13493 Corn Type 1 specific Zea mays 4577 Garden tomato Type 1 specific Solanum lycopersicum 4081 Green bell pepper Type 1 specific Capsicum annuum 4072 Milk (Cow) Type 2 specific 99.998 450.0 0.077 uM Orange bell pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072