1.0 2010-04-08 22:12:04 UTC 2019-11-26 03:12:16 UTC FDB015822 Flavoxanthin Constituent of Taraxacum officinale (dandelion) Flavoxanthin is a natural xanthophyll pigment with a golden-yellow color found in small quantities in a variety of plants. As a food additive it used under the E number E161a as a food coloring. Flavoxanthin C40H56O3 584.8708 584.422945658 2-[(2Z,4E,6E,8Z,10E,12Z,14Z,16E)-17-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-ol 2-[(2Z,4E,6E,8Z,10E,12Z,14Z,16E)-17-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol 512-29-8 C\C(\C=C/C=C(/C)\C=C\C1C(C)=CC(O)CC1(C)C)=C/C=C\C=C(/C)\C=C\C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1 InChI=1S/C40H56O3/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-24,33-36,41-42H,25-27H2,1-10H3/b12-11-,17-13-,19-14+,22-21+,28-15+,29-16+,30-18-,31-20- JRHJXXLCNATYLS-BGZKMDTMSA-N belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes 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. Xanthophylls arise by oxygenation of the carotene backbone. Xanthophylls Organic compounds Lipids and lipid-like molecules Prenol lipids Tetraterpenoids Aliphatic heteropolycyclic compounds Benzofurans Cyclic alcohols and derivatives Dialkyl ethers Dihydrofurans Hydrocarbon derivatives Oxacyclic compounds Secondary alcohols Alcohol Aliphatic heteropolycyclic compound Benzofuran Cyclic alcohol Dialkyl ether Dihydrofuran Ether Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Xanthophyll logp 8.13 ALOGPS logs -5.87 ALOGPS solubility 7.82e-04 g/l ALOGPS melting_point Mp 175.5-177.5° logp 7.73 ChemAxon pka_strongest_acidic 15.13 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 2-[(2Z,4E,6E,8Z,10E,12Z,14Z,16E)-17-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-ol ChemAxon average_mass 584.8708 ChemAxon mono_mass 584.422945658 ChemAxon smiles C\C(\C=C/C=C(/C)\C=C\C1C(C)=CC(O)CC1(C)C)=C/C=C\C=C(/C)\C=C\C=C(\C)C1OC2(C)CC(O)CC(C)(C)C2=C1 ChemAxon formula C40H56O3 ChemAxon inchi InChI=1S/C40H56O3/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-24,33-36,41-42H,25-27H2,1-10H3/b12-11-,17-13-,19-14+,22-21+,28-15+,29-16+,30-18-,31-20- ChemAxon inchikey JRHJXXLCNATYLS-BGZKMDTMSA-N ChemAxon polar_surface_area 49.69 ChemAxon refractivity 193.63 ChemAxon polarizability 72.22 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 86082 Specdb::MsMs 86083 Specdb::MsMs 86084 Specdb::MsMs 148320 Specdb::MsMs 148321 Specdb::MsMs 148322 Specdb::MsMs 2769875 Specdb::MsMs 2769876 Specdb::MsMs 2769877 Specdb::MsMs 2908437 Specdb::MsMs 2908438 Specdb::MsMs 2908439 Specdb::CMs 22481 Specdb::CMs 45091 Specdb::CMs 282753 Specdb::CMs 407910 Specdb::CMs 407911 Specdb::CMs 407912 Specdb::CMs 407913 Specdb::CMs 407914 HMDB36868 #<Reference:0x000055ce32ba4748> Alcoholic beverages Unknown generic Apricot Type 1 specific Prunus armeniaca 36596 Arabica coffee Type 1 specific Coffea arabica 13443 Beverages Unknown generic Black elderberry Type 1 specific Sambucus nigra 4202 Black tea Type 1 Coffee and coffee products Unknown generic Dandelion Type 1 specific Taraxacum officinale 50225 Date Type 1 specific Phoenix dactylifera 42345 Elderberry Type 1 specific Sambucus 4201 European plum Type 1 specific Prunus domestica 3758 Ginkgo nuts Type 1 specific Ginkgo biloba 3311 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Robusta coffee Type 1 specific Coffea canephora 49390 Rose hip Type 1 specific Rosa 3764 Sweet orange Type 1 specific Citrus sinensis 2711 Tea Type 1 specific Camellia sinensis 4442