Identification

PhytoHub ID
PHUB000362
Name
Lutein 5,6-epoxide
Synonyms
  • Taraxanthin
CAS Number
Not Available
Average Mass
584.885
Monoisotopic Mass
584.422945663
Chemical Formula
C40H56O3
IUPAC Name
lutein 5,6-epoxide
InChI Key
DYUUPIKEWLHQGQ-FJOIUHRLSA-N
InChI Identifier
InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-25,34-36,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35-,36-,39+,40-/m0/s1
SMILES
C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
8.24e-04 g/l
LogS (ALOGPS)
-5.85
LogP (ALOGPS)
8.39
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
10
Polar Surface Area
52.989999999999995
Refractivity
193.75150000000002
Polarizability
73.60307485636955
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.3910077414822246
pKa (strongest acidic)
15.139684034106125
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Taxonomy

Family
Terpenoids
Class
Carotenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
GrapeFruit, Berries PublicationsShow

Metabolism

No metabolism information available

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