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Entry
CA00826                                                            
Classification
Carotenoid Name
β-Citraurinene;
beta-Citraurinene
IUPAC name (3R)-8'-Apo-beta-caroten-3-ol
Formula
C30H42O
Molecular Weight 
418.636 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9
Number of
conjugated multiple bonds 
9
Isomers 
  • Constitutional isomer: CA01009, CA00012, CA01144, CA01145
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    8.973
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    1
    Complexity of molecule
    0.082
    Number of heavy atoms
    31
    TPSA
    (Topological Polar Surface Area) 
    20.230 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Citrus hybrid, Robinson (Ref.230) - Land plant: Robinson tangerine (Streptophyta - Rutaceae)
    Citrus reticulata (Ref.229) - Land plant: mandarin orange, tangerine (Streptophyta - Rutaceae)
    References
  • Ref.229: Farin, Dina; Ikan, Raphael; Gross, Jeana, Farin, Dina; Ikan, Raphael; Gross, Jeana, "The carotenoid pigments in the juice and flavedo of a mandarin hybrid (Citrus reticulata) cv Michal during ripening".
  • Ref.230: Leuenberger, Urs; Stewart, Ivan, Leuenberger, Urs; Stewart, Ivan, Phytochemistry, Volume 15, Issue 1, 1976, Pages 227–229, "β-Citraurinene, a new C30-citrus carotenoid".
    • CAS
    58947-97-0
    Links to other DB

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