1.0 2010-04-08 22:06:33 UTC 2025-11-18 22:58:21 UTC FDB005142 Phytofluene B 7,7',8,8',11,11',12,12'-hexahydro-psi,psi-carotene, also known as phytofluene, is a member of the class of compounds known as carotenes. Carotenes 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. Thus, 7,7',8,8',11,11',12,12'-hexahydro-psi,psi-carotene is considered to be an isoprenoid lipid molecule. Within the cell, 7,7',8,8',11,11',12,12'-hexahydro-psi,psi-carotene is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. C40H62 542.9203 542.485151984 (6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene (cis)-phytofluene CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C\C=C(/C)\C=C\C=C(/C)CC\C=C(/C)CCC=C(C)C InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+ OVSVTCFNLSGAMM-OUOOUFEBSA-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 phytofluene logp 9.56 ALOGPS logs -6.19 ALOGPS solubility 3.55e-04 g/l ALOGPS logp 13.02 ChemAxon iupac (6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene ChemAxon average_mass 542.9203 ChemAxon mono_mass 542.485151984 ChemAxon smiles CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C\C=C(/C)\C=C\C=C(/C)CC\C=C(/C)CCC=C(C)C ChemAxon formula C40H62 ChemAxon inchi InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+ ChemAxon inchikey OVSVTCFNLSGAMM-OUOOUFEBSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 194.46 ChemAxon polarizability 74.89 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14420 Specdb::MsMs 47763 Specdb::MsMs 47764 Specdb::MsMs 47765 Specdb::MsMs 114372 Specdb::MsMs 114373 Specdb::MsMs 114374 Specdb::MsMs 2470005 Specdb::MsMs 2470006 Specdb::MsMs 2470007 Specdb::MsMs 2492531 Specdb::MsMs 2492532 Specdb::MsMs 2492533 HMDB0002272 Sweet orange Type 1 specific Citrus sinensis 2711