Carotenoids obi
All carotenoids     All organisms     All pathways     All reactions     Feedback
Carotenoids DB          Carotenoids DB: CA01020   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible biosynthetic routes of this carotenoid   ]
Entry
CA01020                                                            
Classification
Carotenoid Name
Annuionone B
IUPAC name 9-Apo-17,5-epoxy-5,6-dihydro-beta-caroten-3,9-dione
Formula
C13H18O3
Molecular Weight 
222.274 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • An allelochemical - stimulates the root growth of garden cress (Lepidium sativum) (Ref.401).
  • Potential use as natural herbicide template (Ref.401).
    • 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: CA01104
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    0.593
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    0
    Complexity of molecule
    0.235
    Number of heavy atoms
    16
    TPSA
    (Topological Polar Surface Area) 
    43.370 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
    211183-73-2
    Links to other DB

       Searching other references with Google Scholar or searching the colour of this carotenoid by Google image search