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Compound Summary

Fucoxanthin

Compound Information

Fucoxanthin

Compound Name:	Fucoxanthin
Compound CID:	5281239
Synonyms:	Fucoxanthin 3351-86-8 UNII-06O0TC0VSM all-trans-Fucoxanthin 06O0TC0VSM More...
Iupac Name:	None
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
InChIKey:	SJWWTRQNNRNTPU-ABBNZJFMSA-N
Canonical Smiles:	CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=C=C3C(CC(CC3(C)O)OC(=O)C)(C)C
Isomeric 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
Molecular Weight:	658.9
Molecular Formula:	C42H58O6

Compound Structure

2D Structure:

3D Structure:

Computed Properties

Fucoxanthin

Molecular Weight:	658.9
Molecular Formula:	C42H58O6
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	12
Heavy Atom Count:	48
Complexity:	1530

Synonyms

Fucoxanthin

Fucoxanthin	Fucoxanthin
Fucoxanthin	3351-86-8
UNII-06O0TC0VSM	all-trans-Fucoxanthin
06O0TC0VSM	(3S,5R,6R)-3-acetoxy-5,6-epoxy-3,5-dihydroxy-6,7-didehydro-5,6,7,8,5,6-hexahydro-beta,beta-caroten-8-one
(1S,3R)-3-hydroxy-4-((3E,5E,7E,9E,11E,13E,15E)-18-((1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo4.1.0heptan-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	(3S,3S,5R,5R,6S,6R)-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,3S,5R,6R)-3,5-dihydroxy-8-oxo-6,7-didehydro-5,6-epoxy-5,6,7,8,5,6-hexahydro-beta,beta-caroten-3-yl acetate	CCRIS 4055
BRN 0073179	Fucoxanthol
cis-Fucoxanthin	(3S,3S,5R,5R,6S,6R,8R)-3,5-dihydroxy-8-oxo-6,7-didehydro-5,5,6,6,7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3-yl acetate
C42H58O6	Beta-sitosterol 45%
Fucoxanthine - 50%	SCHEMBL37284
5-18-04-00673 (Beilstein Handbook Reference)	beta,beta-Carotene, 3-(acetyloxy)-6,7-didehydro-5,6-epoxy-5,5,6,6,7,8-hexahydro-3,5-dihydroxy-8-oxo-, (3S,3S,5R,5R,6S,6R)-
MLS000728353	Fucoxanthin, analytical standard
CHEMBL1575074	SJWWTRQNNRNTPU-ABBNZJFMSA-
Fucoxanthin carotenoid antioxidant	Fucoxanthin, carotenoid antioxidant
HMS2219K22	Fucoxanthin (from Wakame) (Brown Seaweed) (Undaria Pinnatifida)
HY-N2302	ZINC8221218
1772AH	LMPR01070300
MFCD01745140	AKOS037514648
CS-8167	NCGC00247434-01
all-trans-Fucoxanthinall-trans-Fucoxanthin	AS-56344
SMR000453597	XF162694
C08596	Q96385
351F868	Fucoxanthin solution, 1 mg/L in ethanol, analytical standard
(1S,3R)-3-hydroxy-4-((3E,5E,7E,9E,11E,13E,15E)-18-((1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo4.1.0heptan-1-yl)-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaenylidene)-3,5,5-trimethylcyclohexyl acetate	(3S,3S,5R,5R,6S)-3-Acetoxy-5alpha,6alpha-epoxy-3,5-dihydroxy-8-oxo-6,7-didehydro-5,6,7,8-tetrahydro-beta,beta-carotene"
(3S,3S,5R,5R,6S,6R,8R)-3,5-dihydroxy-8-oxo-6,7-didehydro-5,5,6,6,7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3-"

Experimental Data

Fucoxanthin

Species	Dose	Unit	Control(Avg days)	Treatment(Avg days)	Avg/Med Lifespan Change(%)	Control(Max days)	Treatment(Max days)	Max Lifespan Change(%)	Significant	Strain	Gender	PubMed	Avg/Med Lifespan Change tab
Caenorhabditis elegans	5.000000000000000	umol/L	18.000000000000000	21.000000000000000	0.170000000000000	28.000000000000000	36.000000000000000	0.290000000000000	S	N2		26292053	Active
Caenorhabditis elegans	5.000000000000000	umol/L	18.000000000000000	21.000000000000000	0.170000000000000	28.000000000000000	37.000000000000000	0.320000000000000	S	N2		26292053	Active
Drosophila melanogaster	1.000000000000000	umol/L	65.000000000000000	69.000000000000000	6.200000000000000	83.000000000000000	83.000000000000000	0.000000000000000	S	Canton-S	FEMALES	29504896	Active
Caenorhabditis elegans	0.700000000000000	umol/L	18.000000000000000	23.000000000000000	0.280000000000000	28.000000000000000	36.000000000000000	0.290000000000000	S	N2		26292053	Active
Drosophila melanogaster	1.000000000000000	umol/L	47.000000000000000	54.000000000000000	14.900000000000000	68.000000000000000	71.000000000000000	40.400000000000000	S	Canton-S	MALES	29504896	Active

Experimental Data Visualization

Fucoxanthin

Statistics Data

Fucoxanthin

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Caenorhabditis elegans	0.280000000000000	0.320000000000000	1	3
Drosophila melanogaster	14.900000000000000	40.400000000000000	1	2

Statistics Data Visualization

Fucoxanthin

Compound Name:

Fucoxanthin

Compound CID:

5281239

Synonyms:

Fucoxanthin 3351-86-8 UNII-06O0TC0VSM all-trans-Fucoxanthin 06O0TC0VSM More...

Iupac Name:

None

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

InChIKey:

SJWWTRQNNRNTPU-ABBNZJFMSA-N

Canonical Smiles:

CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=C=C3C(CC(CC3(C)O)OC(=O)C)(C)C

Isomeric 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

Molecular Weight:

658.9

Molecular Formula:

C42H58O6

Molecular Weight:

658.9

Molecular Formula:

C42H58O6

Hydrogen Bond Donor Count:

2

Hydrogen Bond Acceptor Count:

6

Rotatable Bond Count:

12

Heavy Atom Count:

48

Complexity:

1530

Fucoxanthin

3351-86-8

UNII-06O0TC0VSM

all-trans-Fucoxanthin

06O0TC0VSM

(3S,5R,6R)-3-acetoxy-5,6-epoxy-3,5-dihydroxy-6,7-didehydro-5,6,7,8,5,6-hexahydro-beta,beta-caroten-8-one

(1S,3R)-3-hydroxy-4-((3E,5E,7E,9E,11E,13E,15E)-18-((1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo4.1.0heptan-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

(3S,3S,5R,5R,6S,6R)-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,3S,5R,6R)-3,5-dihydroxy-8-oxo-6,7-didehydro-5,6-epoxy-5,6,7,8,5,6-hexahydro-beta,beta-caroten-3-yl acetate

CCRIS 4055

BRN 0073179

Fucoxanthol

cis-Fucoxanthin

(3S,3S,5R,5R,6S,6R,8R)-3,5-dihydroxy-8-oxo-6,7-didehydro-5,5,6,6,7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3-yl acetate

C42H58O6

Beta-sitosterol 45%

Fucoxanthine - 50%

SCHEMBL37284

5-18-04-00673 (Beilstein Handbook Reference)

beta,beta-Carotene, 3-(acetyloxy)-6,7-didehydro-5,6-epoxy-5,5,6,6,7,8-hexahydro-3,5-dihydroxy-8-oxo-, (3S,3S,5R,5R,6S,6R)-

MLS000728353

Fucoxanthin, analytical standard

CHEMBL1575074

SJWWTRQNNRNTPU-ABBNZJFMSA-

Fucoxanthin carotenoid antioxidant

Fucoxanthin, carotenoid antioxidant

HMS2219K22

Fucoxanthin (from Wakame) (Brown Seaweed) (Undaria Pinnatifida)

HY-N2302

ZINC8221218

1772AH

LMPR01070300

MFCD01745140

AKOS037514648

CS-8167

NCGC00247434-01

all-trans-Fucoxanthinall-trans-Fucoxanthin

AS-56344

SMR000453597

XF162694

C08596

Q96385

351F868

Fucoxanthin solution, 1 mg/L in ethanol, analytical standard

(1S,3R)-3-hydroxy-4-((3E,5E,7E,9E,11E,13E,15E)-18-((1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo4.1.0heptan-1-yl)-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaenylidene)-3,5,5-trimethylcyclohexyl acetate

(3S,3S,5R,5R,6S)-3-Acetoxy-5alpha,6alpha-epoxy-3,5-dihydroxy-8-oxo-6,7-didehydro-5,6,7,8-tetrahydro-beta,beta-carotene"

Fucoxanthin

3351-86-8

UNII-06O0TC0VSM

all-trans-Fucoxanthin

06O0TC0VSM

More...