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Entry
CA00109                                                            

Classification
Carotenoid Name
Lycopanerols D
IUPAC name Complex derivative of psi,psi-caroten
Formula
-
Molecular Weight 
-
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
0
Number of
conjugated multiple bonds 
11
Isomers 
  • Constitutional isomer: CA00111, CA00113, CA00119, CA00120
  • InChI

    InChIKey

    Canonical SMILES
    C[C@@H](CCCC(C1CCC(O1)C(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)(O)C)(OC([C@@H]1CC[C@H]([C@](O1)(C)CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)*)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)C)CCC[C@@H](CCCC(C)C)C
    XLogP
    36.253
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    4
    LipinskiFailures
    2
    Complexity of molecule
    0.165
    Number of heavy atoms
    85
    TPSA
    (Topological Polar Surface Area) 
    47.920 Å2
    Source organisms
    Botryococcus braunii L race (Ref.60) - Green alga: Trebouxiophyceae
    References
  • Ref.60 : M. N. Rager, P. Metzger, Phytochemistry 54 (2000) pp. 427-437, "Six novel tetraterpenoid ethers, lycopanerols B-G, and some other constituents from the grreen microalga Botryococcus braunii".
  • CAS
    295342-60-8
    Links to other DB
    KNApSAcK: C00037452

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