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Entry
CA00580                                                            

Classification
Carotenoid Name
2-nor-Astaxanthin-diester;
2'-nor-Astaxanthin-diester
IUPAC name 3,3'-Dihydroxy-2-nor-beta,beta-carotene-4,4'-dione-3,3'-diester
Formula
C39H50O4
Molecular Weight 
582.79 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
13 including two ketones (13 in total)
Number of
conjugated multiple bonds 
13 including two ketones (13 in total)
Isomers 
  • Constitutional isomer: CA00575, CA00570
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    10.044
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    6
    LipinskiFailures
    2
    Complexity of molecule
    0.266
    Number of heavy atoms
    51
    TPSA
    (Topological Polar Surface Area) 
    86.740 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Actinia tenebrosa  - Sea anemone (Cnidaria - Actiniidae)
    Actinia equina  - Sea anemone (Cnidaria - Actiniidae)
    Bunodosoma granuliferum (Ref.256) - Sea anemone (Cnidaria - Actiniidae)
    References
  • Ref.256: LeBoeuf, Robert; McCommas, Steven A.; Howe, Nathan R.; Tauber, J. David, Comparative Biochemistry and Physiology, Part B: Biochemistry & Molecular Biology (1981), 68B(1), 25-9., "The role of carotenoids in the color polymorphism of the sea anemone, Bunodosoma granulifera (Anthozoa:Actiniaria)".
  • CAS
    22453-07-2
    Links to other DB

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