1.0 2010-04-08 22:12:04 UTC 2025-11-19 01:00:14 UTC FDB015831 Phytoene 7,7',8,8',11,11',12,12'-octahydro-Carotene is a carotenoid found in human fluids.; Carotenoids are isoprenoid molecules that are widespread in nature and are typically seen as pigments in fruits, flowers, birds and crustacea. Animals are unable to synthesise carotenoids de novo, and rely upon the diet as a source of these compounds. Over recent years there has been considerable interest in dietary carotenoids with respect to their potential in alleviating age-related diseases in humans. This attention has been mirrored by significant advances in cloning most of the carotenoid genes and in the genetic manipulation of crop plants with the intention of increasing levels in the diet. Studies have shown an inverse relationship between the consumption of certain fruits and vegetables and the risk of epithelial cancer. Since carotenoids are among the micronutrients found in cancer preventive foods, detailed qualitative and quantitative determination of these compounds, particularly in fruits and vegetables and in human plasma, have recently become increasingly important. (PMID: 1416048, 15003396) (6e,10e,14e,16e,18e,22e,26e)-2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene (all-e)-Phytoene 7,7',8,8',11,11',12,12'-Octahydro-psi,psi-carotene 7,7',8,8',11,11',12,12'-Octahydro-y,y-carotene all-trans-7,7',8,8',11,11',12,12'-Octahydro-lycopene all-trans-Phytoene Phytoene trans-Phytoene C40H64 544.9362 544.500802048 (6Z,10Z,14E,16E,18E,22E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene (6Z,10Z,14E,16E,18E,22E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene 540-04-5 CC(C)=CCC\C(C)=C/CC\C(C)=C/CC\C(C)=C\C=C\C=C(/C)CC\C=C(/C)CC\C=C(\C)CCC=C(C)C InChI=1S/C40H64/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/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27-,38-28-,39-29-,40-30+ YVLPJIGOMTXXLP-COJWMZADSA-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 Solid logp 9.60 ALOGPS logs -6.23 ALOGPS solubility 3.17e-04 g/l ALOGPS logp 13.38 ChemAxon iupac (6Z,10Z,14E,16E,18E,22E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene ChemAxon average_mass 544.9362 ChemAxon mono_mass 544.500802048 ChemAxon smiles CC(C)=CCC\C(C)=C/CC\C(C)=C/CC\C(C)=C\C=C\C=C(/C)CC\C=C(/C)CC\C=C(\C)CCC=C(C)C ChemAxon formula C40H64 ChemAxon inchi InChI=1S/C40H64/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/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27-,38-28-,39-29-,40-30+ ChemAxon inchikey YVLPJIGOMTXXLP-COJWMZADSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 193.34 ChemAxon polarizability 72.01 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9737 Specdb::MsMs 50754 Specdb::MsMs 50755 Specdb::MsMs 50756 Specdb::MsMs 150540 Specdb::MsMs 150541 Specdb::MsMs 150542 HMDB02181 #<Reference:0x000055ce31c2f2b8> #<Reference:0x000055ce31c2f100> Apricot Type 1 specific Prunus armeniaca 36596 Black tea Type 1 Broccoli Type 1 specific Brassica oleracea var. italica 36774 0.0 0.0 0.0 mg/100 g Carrot Type 1 specific Daucus carota ssp. sativus 79200 Common grape Type 1 specific Vitis vinifera 29760 Fruit juice Type 2 specific Garden tomato Type 1 specific Solanum lycopersicum 4081 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 Grapefruit Type 1 specific Citrus X paradisi 37656 Green bell pepper Type 1 specific Capsicum annuum 4072 Green tea Type 1 Herbal tea Type 1 Lettuce Type 1 specific Lactuca sativa 4236 0.0 0.0 0.0 mg/100 g Orange bell pepper Type 1 specific Capsicum annuum 4072 Papaya Type 1 specific Carica papaya 3649 Pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Red tea Type 1 Saffron Type 1 specific Crocus sativus 82528 Sweet orange Type 1 specific Citrus sinensis 2711 0.1 0.1 0.1 mg/100 g Sweet potato Type 1 specific Ipomoea batatas 4120 0.49 0.49 0.49 mg/100 g Tea Type 1 specific Camellia sinensis 4442 Watermelon Type 1 specific Citrullus lanatus 3654 Wild carrot Type 1 specific Daucus carota 4039 Yellow bell pepper Type 1 specific Capsicum annuum 4072