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Entry
CA00860                                                            
Classification
Carotenoid Name
Hydroxysintaxanthin 5,6-epoxide
IUPAC name 5,6-Epoxy-3-hydroxy-5,6,7',8'-tetrahydro-7'-apo-beta-caroten-8'-one
Formula
C31H42O3
Molecular Weight 
462.646 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9 including one ketone (9 in total)
Number of
conjugated multiple bonds 
9 including one ketone (9 in total)
Isomers 
  • Constitutional isomer: CA01008, CA00792, CA00838
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    6.980
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    1
    Complexity of molecule
    0.092
    Number of heavy atoms
    34
    TPSA
    (Topological Polar Surface Area) 
    49.830 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Citrus sinensis  - Land plant: orange (Streptophyta - Rutaceae)
    References

    CAS
    -
    Links to other DB

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