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Carotenoids DB          Carotenoids DB: CA00425   
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Entry
CA00425                                                            
Classification
Carotenoid Name
5,6-Diepilatoxanthin
IUPAC name (3S,5S,6S,3'S,5'R,6'S)-5',6'-Epoxy-5,6,5',6'-tetrahydro-beta,beta-carotene-3,5,6,3'-tetrol
Formula
C40H58O5
Molecular Weight 
618.864 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: CA00355, CA00356, CA00427, CA00446, CA00447, CA00702, CA00751
  • Conformer: CA00426
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    8.375
    Hydrogen Bond donors
    (Lipinski's definition)
    4
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    5
    LipinskiFailures
    1
    Complexity of molecule
    0.301
    Number of heavy atoms
    45
    TPSA
    (Topological Polar Surface Area) 
    93.450 Å2
    Reaction
  • Product: CR00381
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Capsicum annuum var. longum (Ref.286) - Land plant: red spice paprika (Streptophyta - Solanaceae)
    References
  • Ref.286: Deli, Jozsef; Molnar, Peter; Matus, Zoltan; Toth, Gyula; Steck, Andrea; Pfander, Hanspeter, Helvetica Chimica Acta (1998), 81(7), 1233-1241., "Isolation of carotenoids with 3,5,6-trihydroxy-5,6-dihydro-β-end groups from red paprika (Capsicum annuum)".
    • CAS
    211937-37-0
    Links to other DB
    KNApSAcK: C00022946

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