Identification

PhytoHub ID
PHUB000369
Name
Violaxanthin
Systematic Name
Not Available
Synonyms
  • Zeaxanthin diepoxide
CAS Number
Not Available
Average Mass
600.884
Monoisotopic Mass
600.417860283
Chemical Formula
C40H56O4
IUPAC Name
violaxanthin
InChI Key
SZCBXWMUOPQSOX-QBPHOBMCNA-N
InChI Identifier
InChI=1/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/s2
SMILES
C\C(\C=C\C=C(/C)\C=C\[[email protected]@]12O[[email protected]]1(C)C[[email protected]@H](O)CC2(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[[email protected]@]12O[[email protected]]1(C)C[[email protected]@H](O)CC2(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
5.68e-04 g/l
LogS (ALOGPS)
-6.02
LogP (ALOGPS)
8.33
Hydrogen Acceptors
4
Hydrogen Donors
2
Rotatable Bond Count
10
Polar Surface Area
65.52
Refractivity
192.327
Polarizability
75.12060517869699
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.7377022034819802
pKa (strongest acidic)
14.838654038442145
Number of Rings
4
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
Yes

Taxonomy as Precursor

Family
Terpenoids
Class
Carotenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
CA000114MassBankEI-EBEB Spectrum - -, unspecifiedView Spectra

Food Sources

NameGroup
AlgaeAquatic foods PublicationsShow
Bell pepper (Capsicum annuum, mild varieties)Vegetables, Fruit vegetables PublicationsShow
Common cabbageVegetables, Cabbages PublicationsShow
Common peaPulses and beans PublicationsShow
Corn saladVegetables, Leaf vegetables PublicationsShow
EndiveVegetables, Leaf vegetables PublicationsShow
LeekVegetables, Onion-family PublicationsShow
LettuceVegetables, Leaf vegetables PublicationsShow
MangoFruit, Tropical fruits PublicationsShow
PaprikaHerbs and Spices PublicationsShow
PeachFruit, Drupes PublicationsShow
Rocket saladVegetables, Leaf vegetables PublicationsShow
SpinachVegetables, Leaf vegetables PublicationsShow

Metabolism

No metabolism information available

Inter-Individual Variations Metabolism

No inter-individual variations available

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