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Entry
CA00630                                                            
Classification
Carotenoid Name
Chrysanthemaxanthin
IUPAC name (3S,5R,8S,3'R,6'R)-5,8-Epoxy-5,8-dihydro-beta,epsilon-carotene-3,3'-diol
Formula
C40H56O3
Molecular Weight 
584.848 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • Major pigment in avocado (Ref.493).
  • Reverses multidrug resistance by a co-treatment with flavoxanthin (Ref.493).
    • Number of
    conjugated double bonds 
    8
    Number of
    conjugated multiple bonds 
    8
    Isomers 
    InChI

    InChIKey

    Canonical SMILES

    XLogP
    9.229
    Hydrogen Bond donors
    (Lipinski's definition)
    2
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    1
    Complexity of molecule
    0.313
    Number of heavy atoms
    43
    TPSA
    (Topological Polar Surface Area) 
    49.690 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Calendula officinalis (Ref.430) - Land plant: common marigold (Streptophyta - Asteraceae)
    Persea americana (Ref.202) - Land plant: avocado (Streptophyta - Lauraceae)
    References
  • Ref.202: Gross, Jeana; Gabai, Michaela; Lifshitz, Abraham; Sklarz, Benjamin, Phytochemistry (Elsevier) (1974), 13(9), 1917-21., "Structures of some carotenoids from pulp of Persea americana".
  • Ref.430: T. W. GOODWIN, Biochem J. 1954 Sep;58(1):90-4., "Studies in carotenogenesis. 13. The carotenoids of the flower petals of Calendula officinalis.".
  • Ref.493: Anne-Laure Gagez, ValĂ©rie Thiery, Virginie Pasquet, Jean-Paul Cadoret, and Laurent Picot, Current Bioactive Compounds 2012, 8, 000-000, "Epoxycarotenoids and Cancer. Review".
    • CAS
    27780-11-6
    Links to other DB

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