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Entry
CA00824                                                            
Classification
Carotenoid Name
Valenciaxanthin
IUPAC name (3S,5R,6S)-5,6-Epoxy-5,6,11',12'-tetrahydro-10'-apo-beta-carotene-3,10'-diol
Formula
C27H40O3
Molecular Weight 
412.59 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
6
Number of
conjugated multiple bonds 
6
Isomers 
  • Constitutional isomer: CA00849
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    5.661
    Hydrogen Bond donors
    (Lipinski's definition)
    2
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    1
    Complexity of molecule
    0.100
    Number of heavy atoms
    30
    TPSA
    (Topological Polar Surface Area) 
    52.990 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Spanish Navelinas (Ref.228) - Land plant: orange (Streptophyta - Rutaceae)
    References
  • Ref.228: Maerki-Fischer, Edith; Eugster, Conrad Hans, Helvetica Chimica Acta (1990), 73(2), 468-75., "Structure of the valenciaxanthins and valenciachromes".
    • CAS
    129566-99-0
    Links to other DB

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