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Carotenoids DB          Carotenoids DB: CA00645   
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Entry
CA00645                                                            
Classification
Carotenoid Name
2,3-Didehydroxipholenin
IUPAC name 3'-Hydroxy-3-methoxy-2,3-didehydro-beta,epsilon-caroten-4-one
Formula
C41H54O3
Molecular Weight 
594.842 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
12 including one ketone (12 in total)
Number of
conjugated multiple bonds 
12 including one ketone (12 in total)
Isomers 
  • Constitutional isomer: CA00284, CA00496
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    11.892
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    2
    Complexity of molecule
    0.306
    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  - Bird: pompadour cotinga (Chordata - Cotingidae)
    References

    CAS
    1356471-51-6
    Links to other DB

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