precursor

Showing entry for Fucoxanthin

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
MOLSDFPDBSMILESInChI

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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