1.0 2016-09-30 23:02:14 UTC 2020-04-22 15:11:33 UTC BMDB0002936 BMDB02936 Phytofluene (12E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene (15Z)-Phytofluene 15-cis-7,7',8,8',11,12-Hexahydro-psi,psi-carotene 15-cis-7,7',8,8',11,12-Hexahydro-ψ,ψ-carotene 15-cis-7,7’,8,8’,11,12-hexahydro-ψ,ψ-carotene 15-cis-Phytofluene 7,7',8,8',11,12-Hexahydro-psi,psi-carotene 7,7',8,8',11,12-Hexahydro-ψ,ψ-carotene 7,7',8,8',11,12-Hexahydrolycopene 7,7’,8,8’,11,12-hexahydro-ψ,ψ-carotene 7,7’,8,8’,11,12-hexahydrolycopene cis-Phytofluene Phytofluene C40H62 542.9203 542.485151984 (6E,10E,12E,14E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene phytofluene 27664-65-9 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-DGFSHVNOSA-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. Organic compounds Lipids and lipid-like molecules Prenol lipids Tetraterpenoids Carotenes Acyclic olefins Branched unsaturated hydrocarbons Unsaturated aliphatic hydrocarbons Acyclic olefin Aliphatic acyclic compound Branched unsaturated hydrocarbon Carotene Hydrocarbon Olefin Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon Aliphatic acyclic compounds phytofluene Solid logp 9.56 ALOGPS logs -6.19 ALOGPS logp 13.02 ChemAxon iupac (6E,10E,12E,14E,16Z,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-DGFSHVNOSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 194.46 ChemAxon polarizability 73.38 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 21090 Specdb::MsMs 240061 Specdb::MsMs 240062 Specdb::MsMs 240063 Specdb::MsMs 242116 Specdb::MsMs 242117 Specdb::MsMs 242118 Specdb::MsMs 2770094 Specdb::MsMs 2770095 Specdb::MsMs 2770096 Specdb::MsMs 2908647 Specdb::MsMs 2908648 Specdb::MsMs 2908649 5256893 6857557 FDB022937 C00000913 35165 Phytofluene