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Entry
CA00320                                                            

Classification
Carotenoid Name
Anhydrodiatoxanthin
IUPAC name (3R)-3',4',7',8'-Tetradehydro-beta,beta-caroten-3-ol
Formula
C40H52O
Molecular Weight 
548.816 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9 and 2 (11 in total)
Number of
conjugated multiple bonds 
12
Isomers 
  • Constitutional isomer: CA00160, CA00254, CA00255, CA00364, CA00460, CA00540, CA00724, CA00729
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    12.501
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    1
    Complexity of molecule
    0.323
    Number of heavy atoms
    41
    TPSA
    (Topological Polar Surface Area) 
    20.230 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Eutreptiella gymnastica (Ref.45) - Alga: Euglena (Euglenida - Eutreptiales)
    References
  • Ref.45: A. Fiksdahl, T. Bjoernland, and S. Liaaen-Jensen, Phytochemistry, Vol. 23, No.3, pp. 649-655, 1984, "Algal carotenoids with novel end groups".
  • CAS
    91298-11-2
    Links to other DB
    KNApSAcK: C00022833

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