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Carotenoids DB          Carotenoids DB: CA00835   
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Entry
CA00835                                                            
Classification
Carotenoid Name
3-Hydroxysintaxanthin
IUPAC name (3R)-3-Hydroxy-7',8'-dihydro-7'-apo-beta-caroten-8'-one
Formula
C31H42O2
Molecular Weight 
446.646 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
10 including one ketone (10 in total)
Number of
conjugated multiple bonds 
10 including one ketone (10 in total)
Isomers 
  • Constitutional isomer: CA00791, CA00836
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    7.780
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    1
    Complexity of molecule
    0.080
    Number of heavy atoms
    33
    TPSA
    (Topological Polar Surface Area) 
    37.300 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Persea americana (Ref.202)  - Land plant: avocado (Streptophyta - Lauraceae)
    References
  • Ref.202: Gross, Jeana; Gabai, Michaela; Lifshitz, Abraham; Sklarz, Benjamin, Phytochemistry (Elsevier) (1974), 13(9), 1917-21., "Structures of some carotenoids from pulp of Persea americana".
    • CAS
    35233-48-8
    Links to other DB
    KNApSAcK: C00023109

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