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Carotenoids DB          Carotenoids DB: CA01016   
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Entry
CA01016                                                            
Classification
Carotenoid Name
Boscialin;
(-)-Boscialin
IUPAC name (3S,6S)-9-Apo-3,5-dihydroxy-5,6-dihydro-beta-caroten-9-one
Formula
C13H22O3
Molecular Weight 
226.306 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: CA01023, CA01017, CA01113, CA01114, CA00806
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    1.079
    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
    Solanum lyratum (Ref.394) - Land plant: Solanaceae: Inedible plant for humans (Streptophyta - Solanaceae)
    Chrysanthemum indicum (Ref.399) - Land plant: chrysanthemum (Streptophyta - Asteraceae)
    References
  • 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".
  • Ref.399: Feng, Ziming; Yang, Yanan; Jiang, Jianshuang; Zhang, Peicheng, Zhongguo Zhongyao Zazhi (2010), 35(24), 3302-3305., "Chemical constituents from flowers of Chrysanthemum indicum".
    • CAS
    129277-03-8
    Links to other DB

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