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Entry
CA00793                                                            
Classification
Carotenoid Name
Methyl apo-6'-lycopenoate
IUPAC name Methyl 6'-apo-psi-caroten-6'-oate
Formula
C33H44O2
Molecular Weight 
472.682 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11 including one ketone (11 in total)
Number of
conjugated multiple bonds 
11 including one ketone (11 in total)
Isomers 
  • Cis/trans isomer: CA01230
  • Constitutional isomer: CA00286
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    10.755
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    35
    TPSA
    (Topological Polar Surface Area) 
    26.300 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Bixa orellana (Ref.764) - Land plant: Bixaceae (Streptophyta - Bixaceae)
    References
  • Ref.764: A. Z. MERCADANTE, A. STECK, D. RODRIGUEZ-AMAYA,t H. PFANDER and G. BRITTON, Phytochemistry, Vol. 41, No. 4, pp. 1201 1203, 1996, “ISOLATION OF METHYL 9'Z-APO-6'-LYCOPENOATE FROM BIXA ORELLANA”.
    • CAS
    22255-21-6
    Links to other DB
    KNApSAcK: C00023106

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