Identification

PhytoHub ID
PHUB000370
Name
Zeaxanthin
Systematic Name
Not Available
Synonyms
  • (3R,3'R)-dihydroxy-β,β-carotene
  • (3R,3'R)-β,β-carotene-3,3'-diol
  • anchovyxanthin
  • β,β-carotene-3,3'-diol
CAS Number
144-68-3
Average Mass
568.886
Monoisotopic Mass
568.428031043
Chemical Formula
C40H56O2
IUPAC Name
(1R)-4-[(1E,3E,5E,7E,9Z,11Z,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol
InChI Key
JKQXZKUSFCKOGQ-PWPFSTEPSA-N
InChI Identifier
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11-,17-13+,18-14+,23-21+,24-22+,29-15-,30-16+,31-19+,32-20+/t35-,36-/m1/s1
SMILES
C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
6.49e-04 g/l
LogS (ALOGPS)
-5.94
LogP (ALOGPS)
8.30
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
10
Polar Surface Area
40.46
Refractivity
194.95080000000004
Polarizability
72.69150012253526
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-0.7887548611967237
pKa (strongest acidic)
18.907213404525137
Number of Rings
2
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Terpenoids
Class
Carotenoids
Sub-class
Not Available

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Prenol lipids
Super-class
Lipids and lipid-like molecules
Sub-class
Tetraterpenoids
Direct Parent Name
Xanthophylls
Alternative Parent Names
["Hydrocarbon derivatives", "Secondary alcohols"]
External Descriptor Annotations
Not Available
Substituent Names
["Alcohol", "Aliphatic homomonocyclic compound", "Hydrocarbon derivative", "Organic oxygen compound", "Organooxygen compound", "Secondary alcohol", "Xanthophyll"]

Spectra from Online Resources

Record IDSourceDescriptionView
CA000115MassBankEI-EBEB Spectrum - -, unspecifiedView Spectra
PS073301ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS073302ReSpectN/A Spectrum - 20, [M+H]+View Spectra

Food Sources

NameGroup
AlgaeAquatic foods PublicationsShow
ApricotFruit, Drupes PublicationsShow
AvocadoVegetables, Fruit vegetables PublicationsShow
Bell pepper (Capsicum annuum, mild varieties)Vegetables, Fruit vegetables PublicationsShow
CarrotVegetables, Root vegetables PublicationsShow
CeleriacVegetables, Root vegetables PublicationsShow
CornCereals and cereal products PublicationsShow
KaleVegetables, Cabbages PublicationsShow
LettuceVegetables, Leaf vegetables PublicationsShow
SpinachVegetables, Leaf vegetables PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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