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Entry
CA01209                                                            
Classification
Carotenoid Name
(6S,9R)-Roseoside
IUPAC name (6S,9R)-9-glucopyranosyloxy-9-apo-epsilonn-caroten-3-one
Formula
C19H30O8
Molecular Weight 
386.43 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • An allelochemical. Inhibit the histamine release from rat peritoneal exudate cells induced by antigen-antibody reaction (Ref.656).
    • 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 
  • Conformer: CA01211
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    -0.464
    Hydrogen Bond donors
    (Lipinski's definition)
    5
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    8
    LipinskiFailures
    0
    Complexity of molecule
    0.281
    Number of heavy atoms
    27
    TPSA
    (Topological Polar Surface Area) 
    136.680 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Corchorus olitorius L. (Ref.657) - Land plant: Nalta jute, same as Corchorus olitorius (Streptophyta - Malvaceae)
    References
  • Ref.657: Yoshikawa M., Shimada H., Saka M., Yoshizumi S., Yamahara J., Matsuda, H., Chem. Pharm. Bull., 45, 464—469 (1997), "Medicinal foodstuffs. V. Moroheiya. (1): Absolute stereostructures of corchoionosides A, B, and C, histamine release inhibitors from the leaves of Vietnamese Corchorus olitorius L. (Tiliaceae).".
  • Ref.656: Murai Y., Kashimura S., Tamezawa S., Hashimoto T., Takaoka S., Asakawa Y., Kiguchi K., Murai F., Tagawa M., Planta Med., 67, 480—481 (2001), "Absolute configuration of (6S, 9S)-roseoside from Polygonum hydropiper".
    • CAS

    Links to other DB

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