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Carotenoids DB          Carotenoids DB: CA00527   
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Entry
CA00527                                                            
Classification
Carotenoid Name
Botryoxanthin A
IUPAC name Complex ketal derivative of beta,beta-caroten-4-one
Formula
C74H112O2
Molecular Weight 
1033.636 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11
Number of
conjugated multiple bonds 
11
Isomers 
  • Constitutional isomer: CA00652
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    25.078
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    2
    Complexity of molecule
    0.181
    Number of heavy atoms
    76
    TPSA
    (Topological Polar Surface Area) 
    18.460 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Botryococcus braunii Kawaguchi-1 (Ref.301, Ref.302) - Green alga: Trebouxiophyceae (Chlorophyta - Botryococcaceae)
    Botryococcus braunii Berkeley (Ref.303) - Green alga: Trebouxiophyceae (Chlorophyta - Botryococcaceae)
    References
  • Ref.301: Tonegawa, Izumi; Okada, Shigeru; Murakami, Masahiro; Yamaguchi, Katsumi, Fisheries Science (1998), 64(2), 305-308., "Pigment composition of the green microalga Botryococcus braunii Kawaguchi-1".
  • Ref.302: Okada, Shigeru; Tonegawa, Izumi; Matsuda, Hisashi; Murakami, Masahiro; Yamaguchi, Katsumi, Okada, Shigeru; Tonegawa, Izumi; Matsuda, Hisashi; Murakami, Masahiro; Yamaguchi, Katsumi, "Botryoxanthin B and α-botryoxanthin A from the green microalga Botryococcus braunii Kawaguchi-1".
  • Ref.303: Okada, Shigeru; Matsuda, Hisashi; Murakami, Masahiro; Yamaguchi, Katsumi, Okada, Shigeru; Matsuda, Hisashi; Murakami, Masahiro; Yamaguchi, Katsumi, "Botryoxanthin A, a member of a new class of carotenoids from the green microalga Botryococcus braunii Berkeley".
    • CAS
    173792-78-4
    Links to other DB
    KNApSAcK: C00022968

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