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Entry
CA00413                                                            

Classification
Carotenoid Name
Peridininol 5,8-furanooxide
IUPAC name (3S,5R,6S,3'S,5'R,6'S)-5,8-Epoxy-3,3',5'-trihydroxy-5,6,5',6'-tetrahydro-6',7'-didehydro-12',13',20'-trinor-beta,beta-caroten-19,11-olide
Formula
C37H48O6
Molecular Weight 
588.754 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • Anticarcinogenic activity - significant growth-inhibitory activity toward cancer cells - antiproliferative activity (Ref.568).
  • Number of
    conjugated double bonds 
    8 including one lactone (8 in total)
    Number of
    conjugated multiple bonds 
    8 including one lactone (8 in total)
    Isomers 
  • Constitutional isomer: CA00577, CA00576
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    6.925
    Hydrogen Bond donors
    (Lipinski's definition)
    3
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    6
    LipinskiFailures
    1
    Complexity of molecule
    0.341
    Number of heavy atoms
    43
    TPSA
    (Topological Polar Surface Area) 
    96.220 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Corbicula japonica (Ref.221) - Shellfish: bivalve (Mollusca - Corbiculidae)
    References
  • Ref.221: Maoka, Takashi; Fujiwara, Yasuhiro; Hashimoto, Keiji; Akimoto, Naoshige, Journal of Agricultural and Food Chemistry (2005), 53(21), 8357-8364. "Carotenoids in Three Species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam)".
  • Ref.568: Suzuki M, Watanabe K, Fujiwara S, Kurasawa T, Wakabayashi T, Tsuzuki M, et al., Chem Phrm Bull 2003;51:724–7. "Isolation of peridinin-related norcarotenoids with cell growth-inhibitory activity from the cultured dinoflagellate of Symbiodinium sp., a symbiont of the Okinawan soft coral Clavularia virdis, and analysis of fatty acid of the dinoflagellate.".
  • CAS
    1361568-40-2
    Links to other DB
    MassBank: CA000093

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