1.0 2011-09-21 00:23:59 UTC 2015-07-21 06:57:29 UTC FDB023058 Fucoxanthin Fucoxanthin is a carotenoid, with formula C40H60O6. It is found as an accessory pigment in the chloroplasts of brown algae and most other heterokonts, giving them a brown or olive-green color. Fucoxanthin absorbs light primarily in the blue-green to yellow-green part of the visible spectrum, peaking at around 510-525 nm by various estimates and absorbing significantly in the range of 450 to 540 nm. -- Wikipedia [HMDB] 3'-acetate-(7CI)-6',7'-didehydro-5,6-epoxy-4',5,5',6,7,8-hexahydro-3,3',5'-trihydroxy-8-oxo-a-carotene 3'-acetate-(7CI)-6',7'-didehydro-5,6-epoxy-4',5,5',6,7,8-hexahydro-3,3',5'-trihydroxy-8-oxo-alpha-carotene all-trans-Fucoxanthin Fucoxanthin C42H58O6 658.9063 658.423339588 3-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaen-1-ylidene]-3,5,5-trimethylcyclohexyl acetate 3-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaen-1-ylidene]-3,5,5-trimethylcyclohexyl acetate 3351-86-8 CC(=O)OC1CC(C)(C)C(=C=C\C(C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)C(=O)CC23OC2(C)CC(O)CC3(C)C)C(C)(O)C1 InChI=1S/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+ SJWWTRQNNRNTPU-BWRPRJLXSA-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 Acryloyl compounds Alpha-branched alpha,beta-unsaturated ketones Carboxylic acid esters Cyclic alcohols and derivatives Dialkyl ethers Enones Epoxides Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxepanes Secondary alcohols Tertiary alcohols Acryloyl-group Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated ketone Alpha-branched alpha,beta-unsaturated-ketone Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dialkyl ether Enone Ether Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Oxirane Secondary alcohol Tertiary alcohol Xanthophyll Solid logp 7.54 ALOGPS logs -6.06 ALOGPS solubility 5.75e-04 g/l ALOGPS logp 6.83 ChemAxon pka_strongest_acidic 14.03 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 3-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaen-1-ylidene]-3,5,5-trimethylcyclohexyl acetate ChemAxon average_mass 658.9063 ChemAxon mono_mass 658.423339588 ChemAxon smiles CC(=O)OC1CC(C)(C)C(=C=C\C(C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)C(=O)CC23OC2(C)CC(O)CC3(C)C)C(C)(O)C1 ChemAxon formula C42H58O6 ChemAxon inchi InChI=1S/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+ ChemAxon inchikey SJWWTRQNNRNTPU-BWRPRJLXSA-N ChemAxon polar_surface_area 96.36 ChemAxon refractivity 202.76 ChemAxon polarizability 78.29 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 308554 Specdb::MsMs 308555 Specdb::MsMs 308556 Specdb::MsMs 352768 Specdb::MsMs 352769 Specdb::MsMs 352770 Specdb::MsMs 2424862 Specdb::MsMs 2424863 Specdb::MsMs 2424864 Specdb::MsMs 2509987 Specdb::MsMs 2509988 Specdb::MsMs 2509989 Specdb::CMs 19150 Specdb::CMs 662796 Specdb::CMs 662797 Specdb::CMs 662798 Specdb::CMs 662799 Specdb::CMs 662800 Specdb::CMs 662801 Specdb::CMs 662802 Specdb::CMs 662803 Specdb::CMs 662804 Specdb::CMs 662805 Specdb::CMs 662806 Specdb::CMs 662807 Specdb::CMs 794036 HMDB02741 5186 #<Reference:0x000055ce335bfe80>