Carotenoids obi
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Entry
CA01071                                                            
Classification
Carotenoid Name
IUPAC name (9S)-9-Apo-7,8-dihydro-9-hydroxy-beta-caroten-4-one
Formula
C13H22O2
Molecular Weight 
210.306 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • An allelochemical (Ref.469).
    • Number of
    conjugated double bonds 
    2
    Number of
    conjugated multiple bonds 
    2
    Isomers 
  • Constitutional isomer: CA01069, CA01115, CA00862, CA01175
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    1.693
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    0
    Complexity of molecule
    0.162
    Number of heavy atoms
    15
    TPSA
    (Topological Polar Surface Area) 
    37.300 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Tectona grandis (Ref.469) - Land plant: Teak (Streptophyta - Lauraceae)
    References
  • Ref.469: Francisco A. Macíasa, Rodney Lacreta, Rosa M. Varelaa, Clara Nogueirasb, Jose M.G. Molinillo, Phytochemistry, Volume 69, Issue 15, November 2008, Pages 2708–2715, "Bioactive apocarotenoids from Tectona grandis".
    • CAS

    Links to other DB

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