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Carotenoids DB          Carotenoids DB: CA00267   
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Entry
CA00267                                                            
Classification
Carotenoid Name
IUPAC name 1'-(beta-D-Glucopyranosyloxy)-3,4,3',4'-tetradehydro-1',2'-dihydro-beta,psi-caroten-2-one
Formula
C46H62O7
Molecular Weight 
726.956 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
14 including one ketone (14 in total)
Number of
conjugated multiple bonds 
14 including one ketone (14 in total)
Isomers 
  • Constitutional isomer: CA00715
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    10.321
    Hydrogen Bond donors
    (Lipinski's definition)
    4
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    7
    LipinskiFailures
    2
    Complexity of molecule
    0.322
    Number of heavy atoms
    53
    TPSA
    (Topological Polar Surface Area) 
    116.450 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms

    References

    CAS
    233685-14-8
    Links to other DB
    KNApSAcK: C00022989

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