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Entry
CA00806                                                            
Classification
Carotenoid Name
Blumenol B;
Dihydrovomifoliol
IUPAC name (6R,9RS)-7,8-dihydro-6,9-dihydroxy-9-apo-epsilonn-caroten-3-one
Formula
C13H22O3
Molecular Weight 
226.306 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • An allelochemical (Ref.469). Inhibitory effects on radicle growth in lettuce and weeds (Ref.655).
    • Number of
    conjugated double bonds 
    2 including one ketone (2 in total)
    Number of
    conjugated multiple bonds 
    2 including one ketone (2 in total)
    Isomers 
  • Constitutional isomer: CA01023, CA01017, CA01016, CA01113, CA01114
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    0.528
    Hydrogen Bond donors
    (Lipinski's definition)
    2
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    0
    Complexity of molecule
    0.158
    Number of heavy atoms
    16
    TPSA
    (Topological Polar Surface Area) 
    57.530 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Podocarpus blumei (Ref.186) - Land plant (Streptophyta - Pinidae)
    Tectona grandis (Ref.469) - Land plant: Teak (Streptophyta - Lauraceae)
    References
  • Ref.186: M. N. Galbraith and D. H. S. Horn, J. Chem. Soc., Chem. Commun., 1972, 113-114, "Structures of the natural products blumenols A, B, and C".
  • 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".
  • Ref.655: Manoel Albuquerque, Roseane Santos, Liziane Lima, Péricles Melo Filho, Rejane Nogueira, Claudio Câmara, Ramos, Agronomy for Sustainable Development, April 2011, Volume 31, Issue 2, pp 379–395, "Allelopathy, an alternative tool to improve cropping systems. A review", https://doi.org/10.1051/agro/2010031.
    • CAS
    36151-01-6
    Links to other DB

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