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Entry
CA00505                                                            

Classification
Carotenoid Name
Xipholenin
IUPAC name (3S,3'S,6'R)-3-Methoxy-3'-hydroxy-beta,epsilon-caroten-4-one
Formula
C41H56O3
Molecular Weight 
596.858 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11 including one ketone (11 in total)
Number of
conjugated multiple bonds 
11 including one ketone (11 in total)
Isomers 
  • Constitutional isomer: CA00186, CA00253
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    10.939
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    2
    Complexity of molecule
    0.300
    Number of heavy atoms
    44
    TPSA
    (Topological Polar Surface Area) 
    46.530 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Xipholena punicea (Ref.272) - Bird: pompadour cotinga (Chordata - Cotingidae)
    References
  • Ref.272: Amy M. LaFountain, Shanti Kaligotla, Shannon Cawley, Ken M. Riedl, Steven J. Schwartz, Harry A. Frank, and Richard O. Prum, Arch Biochem Biophys. 2010 Dec 1; 504(1): 10.1016/j.abb.2010.08.006., doi: 10.1016/j.abb.2010.08.006, "Novel methoxy-carotenoids from the burgundy-colored plumage of the Pompadour Cotinga Xipholena punicea".
  • CAS
    1356476-26-0
    Links to other DB

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