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Carotenoids DB          Carotenoids DB: CA00493   
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Entry
CA00493                                                            
Classification
Carotenoid Name
4'-Hydroxy-4-ketoalloxanthin
IUPAC name (3S,3'S,4'R)-3,3',4'-Trihydroxy-7,8,7',8'-tetrahydro-beta,beta-caroten-4-one
Formula
C40H50O4
Molecular Weight 
594.8 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
7 and 2 including one ketone (9 in total)
Number of
conjugated multiple bonds 
12 including one ketone (12 in total)
Isomers 
  • Constitutional isomer: CA00495, CA00548, CA00494
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    9.305
    Hydrogen Bond donors
    (Lipinski's definition)
    3
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    4
    LipinskiFailures
    1
    Complexity of molecule
    0.319
    Number of heavy atoms
    44
    TPSA
    (Topological Polar Surface Area) 
    77.760 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Clione limacina (Ref.635) - gastropods (Mollusca - Clionidae)
    Paedoclione doliiformis (Ref.635) - gastropods (Mollusca - Clionidae)
    References
  • Ref.635: Takashi Maoka, Takashi Kuwahara, and Masanao Narita, Mar. Drugs 2014, 12, 1460-1470, "Carotenoids of Sea Angels Clione limacina and Paedoclione doliiformis from the Perspective of the Food Chain", doi:10.3390/md12031460.
    • CAS
    253264-74-3
    Links to other DB
    KNApSAcK: C00023017

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