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Entry
CA01082                                                            
Classification
Carotenoid Name
Crocusatin H
IUPAC name (3S,7R)-9-Apo-3,7-dihydroxy-7,8-dihydro-beta-caroten-9-carboxylic acid
Formula
C12H20O4
Molecular Weight 
228.28 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • Strong tyrosinase inhibitory activity. (Ref.485).
    • Number of
    conjugated double bonds 
    0
    Number of
    conjugated multiple bonds 
    0
    Isomers 
    InChI

    InChIKey

    Canonical SMILES

    XLogP
    0.037
    Hydrogen Bond donors
    (Lipinski's definition)
    3
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    4
    LipinskiFailures
    0
    Complexity of molecule
    0.167
    Number of heavy atoms
    16
    TPSA
    (Topological Polar Surface Area) 
    77.760 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Crocus sativus (Ref.485) - Land plant: saffron crocus (Streptophyta - Iridaceae)
    References
  • Ref.485: Li CY, Wu TS, Journal of Natural Products [2002, 65(10):1452-1456], DOI: 10.1021/np020188v, "Constituents of the stigmas of Crocus sativus and their tyrosinase inhibitory activity.".
    • CAS

    Links to other DB

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