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Entry
CA00756                                                            
Classification
Carotenoid Name
Bastaxanthol C
IUPAC name (3R,1'R,5'R)-3,19,17'-Trihydroxy-7,8-didehydro-beta,kappa-carotene-3',6'-dione
Formula
C40H52O5
Molecular Weight 
612.816 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9 including one ketone (9 in total)
Number of
conjugated multiple bonds 
11 including one ketone (11 in total)
Isomers 
  • Constitutional isomer: CA01241, CA01242, CA00510, CA00672, CA00749
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    6.225
    Hydrogen Bond donors
    (Lipinski's definition)
    3
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    5
    LipinskiFailures
    2
    Complexity of molecule
    0.309
    Number of heavy atoms
    45
    TPSA
    (Topological Polar Surface Area) 
    94.830 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Ianthella basta (Ref.600) - Sea sponge (Porifera - Ianthellidae)
    References
  • Ref.600: Enrique Murillo, Veronika Nagy, Attila Agócs and József Deli, Carotenoids, 2013 Nova Science Publishers, Inc., ISBN: 978-1-62808-622-5, Chapter III, "Carotenoids with κ-End Group".
    • CAS
    88930-95-4
    Links to other DB
    KNApSAcK: C00023068

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