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Carotenoids DB          Carotenoids DB: CA00652   
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Entry
CA00652                                                            
Classification
Carotenoid Name
α-Botryoxanthin;
α-Botryoxanthin A;
alpha-Botryoxanthin;
alpha-Botryoxanthin A
IUPAC name Complex ketal derivative of beta,epsilon-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 
10
Number of
conjugated multiple bonds 
10
Isomers 
  • Constitutional isomer: CA00527
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    25.531
    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.231, Ref.232) - Green alga: Trebouxiophyceae (Chlorophyta - Botryococcaceae)
    References
  • Ref.231: Agrawal, Poonam; Laddha, Kirti; Tiwari, Ashok, Agrawal, Poonam; Laddha, Kirti; Tiwari, Ashok., "Isolation and HPLC method development of azafrin from Alectra parasitica var. chitrakutensis".
  • Ref.232: Shaw, B. A.; Andersen, R. J.; Harrison, P. J., Marine Biology (Berlin) (1997), 128(2), 273-280., "Feeding deterrent and toxicity effects of apo-fucoxanthinoids and phycotoxins on a marine copepod (Tigriopus californicus)".
    • CAS
    207594-90-9
    Links to other DB
    KNApSAcK: C00022970

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