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Entry
CA00435                                                            

Classification
Carotenoid Name
Aurochrome
IUPAC name 5,8:5',8'-Diepoxy-5,8,5',8'-tetrahydro-beta,beta-carotene
Formula
C40H56O2
Molecular Weight 
568.848 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • Moderately inhibits MDR in hMDR1-L1210, at 4 and 40 microgram/ml (Ref.493).
  • Number of
    conjugated double bonds 
    7
    Number of
    conjugated multiple bonds 
    7
    Isomers 
    InChI

    InChIKey

    Canonical SMILES

    XLogP
    8.938
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    1
    Complexity of molecule
    0.327
    Number of heavy atoms
    42
    TPSA
    (Topological Polar Surface Area) 
    18.460 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Calendula officinalis (Ref.430) - Land plant: common marigold (Streptophyta - Asteraceae)
    Camellia sinensis (Ref.215) - Land plant: tea, black tea, Camellia sinensis L. (Streptophyta - Theaceae)
    References
  • Ref.215: Taylor, Sarah; Baker, David; Owuor, Philip; Orchard, John; Othieno, Caleb; Gay, Clifton, Taylor, Sarah; Baker, David; Owuor, Philip; Orchard, John; Othieno, Caleb; Gay, Clifton, "A model for predicting black tea quality from the carotenoid and chlorophyll composition of fresh green tea leaf".
  • 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
    6821-09-6
    Links to other DB
    MassBank: CA000030

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