Carotenoids obi
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Entry
CA01017                                                            
Classification
Carotenoid Name
Annuionone F
IUPAC name (5R,6S,7E)-9-Apo-6,916-trihydroxy-5,6-dihydro-beta-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.401).
  • Potential use as natural herbicide template (Ref.401).
    • Number of
    conjugated double bonds 
    0
    Number of
    conjugated multiple bonds 
    0
    Isomers 
  • Constitutional isomer: CA01023, CA01016, CA01113, CA01114, CA00806
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    0.135
    Hydrogen Bond donors
    (Lipinski's definition)
    3
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    4
    LipinskiFailures
    0
    Complexity of molecule
    0.154
    Number of heavy atoms
    17
    TPSA
    (Topological Polar Surface Area) 
    77.760 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Helianthus annuus (Ref.400) - Land plant: sunflower (Streptophyta - Heliantheae)
    References
  • Ref.400: Macias, Francisco A.; Lopez, Adriana; Varela, Rosa M.; Torres, Ascension; Molinillo, Jose M. G., Phytochemistry (Elsevier) (2004), 65(22), 3057-3063., "Bioactive apocarotenoids annuionones F and G: structural revision of annuionones A, B and E".
  • Ref.401: Luiz Cláudio Almeida Barbosa, Róbson Ricardo Teixeira, Ricardo Marques Montanari, 2009, "PHYTOTOXIC NATURAL PRODUCTS AS MODELS FOR THE DEVELOPMENT OF CROP PROTECTION AGENTS".
    • CAS
    809281-51-4
    Links to other DB

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