1.0 2010-04-08 22:10:38 UTC 2019-11-26 03:08:17 UTC FDB013304 Phytofluene Phytofluene is a carotenoid pigment with an orange color found naturally in tomatoes and other vegetables. It is the second product of carotenoid biosynthesis. It is formed from phytoene in a desaturation reaction leading to the formation of five conjugated double bonds. In the following step, addition of carbon-carbon conjugated double bonds leads to the formation of z-carotene and appearance of visible color.; Phytofluene is a carotenoid pigment with an orange color found naturally in tomatoes and other vegetables. It is the second product of carotenoid biosynthesis. Phytofluene is found in many foods, some of which are bitter gourd, yellow bell pepper, caraway, and pepper (c. annuum). Phytofluene C40H62 542.9203 542.485151984 (6E,10E,12Z,14Z,16Z,18Z,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene (6E,10E,12Z,14Z,16Z,18Z,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene 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-GGTPQIBESA-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 9.56 ALOGPS logs -6.19 ALOGPS solubility 3.55e-04 g/l ALOGPS logp 13.02 ChemAxon iupac (6E,10E,12Z,14Z,16Z,18Z,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-GGTPQIBESA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 194.46 ChemAxon polarizability 73.62 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 81588 Specdb::MsMs 81589 Specdb::MsMs 81590 Specdb::MsMs 142719 Specdb::MsMs 142720 Specdb::MsMs 142721 HMDB02871 35165 #<Reference:0x000055ce3177b0c8> Alfalfa Type 1 specific Medicago sativa 3879 Apricot Type 1 specific Prunus armeniaca 36596 Bitter gourd Type 1 specific Momordica charantia 3673 Black tea Type 1 Broccoli Type 1 specific Brassica oleracea var. italica 36774 0.0 0.0 0.0 mg/100 g Caraway Type 1 specific Carum carvi 48032 Carrot Type 1 specific Daucus carota ssp. sativus 79200 Common grape Type 1 specific Vitis vinifera 29760 Corn Type 1 specific Zea mays 4577 Dill Type 1 specific Anethum graveolens 40922 Fig Type 1 specific Ficus carica 3494 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 Guava Type 1 specific Psidium guajava 120290 Herbal tea Type 1 Italian sweet red pepper Type 1 specific Capsicum annuum 4072 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 Passion fruit Type 1 specific Passiflora edulis 78168 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 Star fruit Type 1 specific Averrhoa carambola 28974 1.865 1.865 1.865 mg/100 g Sweet orange Type 1 specific Citrus sinensis 2711 0.2 0.2 0.2 mg/100 g Sweet potato Type 1 specific Ipomoea batatas 4120 0.38 0.38 0.38 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