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Entry
CA00577                                                            

Classification
Carotenoid Name
Hydratopyrrhoxanthinol
IUPAC name (3S,5R,6R,3'R)-3,5,6,3'-Tetrahydroxy-7',8'-didehydro-5,6-dihydro-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 
Number of
conjugated double bonds 
8 including one lactone (8 in total)
Number of
conjugated multiple bonds 
10 including one lactone (10 in total)
Isomers 
  • Constitutional isomer: CA00413, CA00576
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    6.331
    Hydrogen Bond donors
    (Lipinski's definition)
    4
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    6
    LipinskiFailures
    1
    Complexity of molecule
    0.330
    Number of heavy atoms
    43
    TPSA
    (Topological Polar Surface Area) 
    107.220 Å2
    Reaction
  • Product: CR00169
  • Pathway
  • Pathway: CB000095,  CB000096
  • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Gyrodinium dorsum (Ref.33) - Alga: Dinoflagellate ((Alveolata) - Gymnodiniaceae)
    References
  • Ref.33: J. E. Joansen, W. A. Svec, and S. Liaaen-Jensen, Phytochemistry, 1974, Vol.13 pp.2261-2271, "Carotenoids of the Dinophyceae".
  • CAS
    120416-68-4
    Links to other DB
    KNApSAcK: C00023164
    MassBank: CA000123

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