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Carotenoids DB          Carotenoids DB: CA00160   
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Entry
CA00160                                                            
Classification
Carotenoid Name
3,4-Dehydrolycopen-16-al
IUPAC name 3,4-Didehydro-psi,psi-caroten-16-al
Formula
C40H52O
Molecular Weight 
548.816 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
14
Number of
conjugated multiple bonds 
13
Isomers 
  • Constitutional isomer: CA00254, CA00255, CA00320, CA00364, CA00460, CA00540, CA00724, CA00729
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    13.170
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    41
    TPSA
    (Topological Polar Surface Area) 
    17.070 Å2
    Reaction
  • Product: CR00004
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Solanum dulcamara (Ref.107) - Land plant: Solanaceae: bittersweet nightshade (Streptophyta - Solanaceae)
    References
  • Ref.107: Baranyai, M.; Szabolcs, J., Acta Chimica Academiae Scientiarum Hungaricae (1972), 71(3), 381-4., "3,​4-​Dehydrolycopen-​16-​al. Minor carotenoid in the ripe berries of Solanum dulcamara".
    • CAS
    35120-89-9
    Links to other DB

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