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Entry
CA00111                                                            

Classification
Carotenoid Name
Lycopanerols E
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 
3
Number of
conjugated multiple bonds 
12
Isomers 
  • Constitutional isomer: CA00109, CA00113, CA00119, CA00120
  • InChI

    InChIKey

    Canonical SMILES
    CCCCCCCC/C=C\CCCCCc1cc(OC)c(c(c1)O[C@@H]1CC[C@H](O[C@@]1(C)CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C(OC(C1CCC(O1)C(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)(O)C)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)*
    XLogP
    44.900
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    6
    LipinskiFailures
    2
    Complexity of molecule
    0.193
    Number of heavy atoms
    109
    TPSA
    (Topological Polar Surface Area) 
    66.380 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
    -
    Links to other DB

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