This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Fucoxanthin

PubChem CID: 5281239

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms Fucoxanthin, 3351-86-8, all-trans-Fucoxanthin, CCRIS 4055, Sebatrol, 06O0TC0VSM, BRN 0073179, CHEBI:5186, FUCOXANTHIN [MI], FUCOXANTHIN [WHO-DD], (3'S,5'R,6'R)-3'-acetoxy-5,6-epoxy-3,5'-dihydroxy-6',7'-didehydro-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-8-one, DTXSID901031617, 5-18-04-00673 (Beilstein Handbook Reference), (3S,3'S,5R,5'R,6S,6'R)-3'-(acetyloxy)-6',7'-didehydro-5,6-epoxy-5,5',6,6',7,8-hexahydro-3,5'-dihydroxy-8-oxo-beta,beta-carotene, (3S,5R,6S,3'S,5'R,6'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,6-epoxy-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-3'-yl acetate, beta,beta-Carotene, 3'-(acetyloxy)-6',7'-didehydro-5,6-epoxy-5,5',6,6',7,8-hexahydro-3,5'-dihydroxy-8-oxo-, (3S,3'S,5R,5'R,6S,6'R)-, Fucoxanthin (from Wakame) (Brown Seaweed) (Undaria Pinnatifida), Fucoxanthin, all-trans-, (1S,3R)-3-hydroxy-4-((3E,5E,7E,9E,11E,13E,15E)-18-((1S,4S,6R)-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, .alpha.-Carotene, 6',7'-didehydro-5,6-epoxy-4',5,5',6,7,8-hexahydro-3,3',5'-trihydroxy-8-oxo-, 3'-acetate, all-trans-, ALL-E-(3S,5R,6S,3'S,5'R,6'R)-FUCOXANTHIN, (3S,3'S,5R,5'R,6S,6'R)-6',7'-DIDEHYDRO-5,6-EPOXY-4',5',6,7-TETRAHYDRO-3,3',5'-TRIHYDROXY-.BETA.,.BETA.-CAROTEN-8(5H)-ONE, .ALPHA.-CAROTENE, 6',7'-DIDEHYDRO-5,6-EPOXY-4',5,5',6,7,8-HEXAHYDRO-3,3',5'-TRIHYDROXY-8-OXO-, 3'-ACETATE, .BETA.,.BETA.-CAROTEN-8(5H)-ONE, 6',7'-DIDEHYDRO-5,6-EPOXY-4',5',6,7-TETRAHYDRO-3,3',5'-TRIHYDROXY-, (3S,3'S,5R,5'R,6S,6'R)-, 6',7'-DIDEHYDRO-5,6-EPOXY-4',5,5',6,7,8-HEXAHYDRO-3,3',5'-TRIHYDROXY-8-OXO-.ALPHA.-CAROTENE 3'-ACETATE, UNII-06O0TC0VSM, Fucoxanthine, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, MFCD01745140, Fucoxanthine - 10%, Fucoxanthine - 50%, Fucoxanthin (Standard), FUCOXANTHIN [INCI], SCHEMBL37284, MLS000728353, Fucoxanthin, analytical standard, HY-N2302R, SJWWTRQNNRNTPU-ABBNZJFMSA-, Fucoxanthin carotenoid antioxidant, SJWWTRQNNRNTPU-ABBNZJFMSA-N, DTXCID401517913, Fucoxanthin, carotenoid antioxidant, HMS2219K22, HY-N2302, LMPR01070300, AKOS037514648, CS-8167, FF12404, FF45341, NCGC00247434-01, AS-56344, DA-73575, SMR000453597, XF162694, C08596, Q96385, (1S,3R)-3-hydroxy-4-((3E,5E,7E,9E,11E,13E,15E)-18-((1S,4S,6R)-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-octaenylidene)-3,5,5-trimethylcyclohexyl acetate, (3S,3'S,5R,5'R,6S,6'R)-6',7'-DIDEHYDRO-5,6-EPOXY-4',5',6,7-TETRAHYDRO-3,3',5'-TRIHYDROXY-BETA,BETA-CAROTEN-8(5H)-ONE, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-, 6',7'-DIDEHYDRO-5,6-EPOXY-4',5,5',6,7,8-HEXAHYDRO-3,3',5'-TRIHYDROXY-8-OXO-ALPHA-CAROTENE 3'-ACETATE, 686-524-6, ALPHA-CAROTENE, 6',7'-DIDEHYDRO-5,6-EPOXY-4',5,5',6,7,8-HEXAHYDRO-3,3',5'-TRIHYDROXY-8-OXO-, 3'-ACETATE, alpha-Carotene, 6',7'-didehydro-5,6-epoxy-4',5,5',6,7,8-hexahydro-3,3',5'-trihydroxy-8-oxo-, 3'-acetate, all-trans-, BETA,BETA-CAROTEN-8(5H)-ONE, 6',7'-DIDEHYDRO-5,6-EPOXY-4',5',6,7-TETRAHYDRO-3,3',5'-TRIHYDROXY-, (3S,3'S,5R,5'R,6S,6'R)-, InChI=1/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+/t23?,34-
Topological Polar Surface Area 96.4
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 48.0
Isotope Atom Count 0.0
Molecular Complexity 1530.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Uniprot Id P46063, B2RXH2, P10636, Q962Y6, P07550, P04637, Q96KQ7, P11473, O89049, P84022, O75496, P06280, Q99700, Q16236, Q9NUW8, Q03431
Prediction Hob 0.0
Target Id NPT47, NPT48, NPT51
Xlogp 8.1
Molecular Formula C42H58O6
Prediction Swissadme 0.0
Inchi Key SJWWTRQNNRNTPU-ABBNZJFMSA-N
Fcsp3 0.5476190476190477
Logs -4.983
Rotatable Bond Count 12.0
Logd 3.408
Compound Name Fucoxanthin
Prediction Hob Swissadme 0.0
Exact Mass 658.423
Formal Charge 0.0
Monoisotopic Mass 658.423
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 658.9
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 7.0
Esol -8.204804000000001
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+/t23?,34-,35-,40+,41+,42-/m0/s1
Smiles C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(\C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O
Nring 3.0
Defined Bond Stereocenter Count 7.0

  • 1. Outgoing r'ship FOUND_IN to/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
Back to Browse   Back to Home