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Entry
CA00862                                                            
Classification
Carotenoid Name
Blumenol C;
(6R,9R)-9-hydroxy-4-megastigmen-3-one
IUPAC name (6R,9RS)-7,8-dihydro-9-hydroxy-9-apo-epsilon-3-one
Formula
C13H22O2
Molecular Weight 
210.306 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
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: CA01069, CA01071, CA01115, CA01175
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    2.319
    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
    Solanum lyratum (Ref.394) - Land plant: Solanaceae: Inedible plant for humans (Streptophyta - Solanaceae)
    Podocarpus blumei (Ref.186) - Land plant (Streptophyta - Pinidae)
    Arbuscular mycorrhizal (Ref.252) - Fungi: mycorrhizal fungus (Mucoromycota - Glomeraceae)
    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.252: Thomas Fester, Bettina Hause, Diana Schmidt, Kristine Halfmann, Jürgen Schmidt, Victor Wray, Gerd Hause and Dieter Strack, Plant and Cell Physiology Volume 43, Issue 3 pp. 256-265. "Occurrence and Localization of Apocarotenoids in Arbuscular Mycorrhizal Plant Roots".
  • Ref.394: Yue, Xi-dian; Yao, Fang; Zhang, Lei; Li, Gui-sheng; Dai, Sheng-jun, Zhongguo Zhongyao Zazhi (2014), 39(3), 453-456., "Sesquiterpenoids from Solanum lyratum".
    • CAS
    36151-02-7
    Links to other DB

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