Identification

PhytoHub ID
PHUB000359
Name
Fucoxanthin
Synonyms
Not Available
CAS Number
Not Available
Average Mass
658.92
Monoisotopic Mass
658.423339588
Chemical Formula
C42H58O6
IUPAC Name
fucoxanthin
InChI Key
SJWWTRQNNRNTPU-XJUZQKKNSA-N
InChI Identifier
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
[H]C(=[C@@]=C1C(C)(C)C[C@@H](C[C@@]1(C)O)OC(C)=O)C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)C(=O)C[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
5.75e-04 g/l
LogS (ALOGPS)
-6.06
LogP (ALOGPS)
7.54
Hydrogen Acceptors
5
Hydrogen Donors
2
Rotatable Bond Count
12
Polar Surface Area
96.36
Refractivity
202.75920000000002
Polarizability
78.94281525971958
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.737175756069491
pKa (strongest acidic)
14.033714319556875
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Taxonomy

Family
Terpenoids
Class
Carotenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
AlgaeAquatic foods PublicationsShow

Metabolism

No metabolism information available

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