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Carotenoids DB          Carotenoids DB: CA00483   
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Entry
CA00483                                                            
Classification
Carotenoid Name
Phoeniconone;
Dehydroadonirubin
IUPAC name 3-Hydroxy-2,3-didehydro-beta,beta-carotene-4,4'-dione
Formula
C40H50O3
Molecular Weight 
578.8 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
14 including two ketones (14 in total)
Number of
conjugated multiple bonds 
14 including two ketones (14 in total)
Isomers 
  • Constitutional isomer: CA00297, CA00543, CA00636, CA00735, CA00784
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    11.393
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    1
    Complexity of molecule
    0.323
    Number of heavy atoms
    43
    TPSA
    (Topological Polar Surface Area) 
    54.370 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS
    50299-51-9
    Links to other DB
    KNApSAcK: C00023050

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