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Entry
CA00515                                                            
Classification
Carotenoid Name
Pompadourin
IUPAC name 3,3'-Dimethoxy-beta,beta-carotene-4,4'-dione
Formula
C42H56O4
Molecular Weight 
624.868 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
13 including two ketones (13 in total)
Number of
conjugated multiple bonds 
13 including two ketones (13 in total)
Isomers 
  • Constitutional isomer: CA00179
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    9.876
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    4
    LipinskiFailures
    2
    Complexity of molecule
    0.294
    Number of heavy atoms
    46
    TPSA
    (Topological Polar Surface Area) 
    52.600 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Xipholena punicea  - Bird: pompadour cotinga (Chordata - Cotingidae)
    References

    CAS
    7733-93-9
    Links to other DB

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