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Entry
CA00119                                                            

Classification
Carotenoid Name
Lycopanerols K
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 
13
Isomers 
  • Constitutional isomer: CA00109, CA00111, CA00113, CA00120
  • InChI

    InChIKey

    Canonical SMILES
    CCCCCCCCC(C(Oc1c(*)cc(cc1OC)C(CCCC/C=C\CCC(CCCC)C)*)CCCCO[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
    48.850
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    7
    LipinskiFailures
    2
    Complexity of molecule
    0.294
    Number of heavy atoms
    126
    TPSA
    (Topological Polar Surface Area) 
    75.610 Å2
    Source organisms
    Botryococcus braunii L race (Ref.65) - Green alga: Trebouxiophyceae
    References
  • Ref.65 : Metzger, Pierre; Rager, Marie-Noeelle; Sellier, Nicole; Largeau, Claude, Journal of Natural Products (2003), 66(6), 772-778., "Lycopanerols I-‚ÄčL, four new tetraterpenoid ethers from Botryococcus braunii".
  • CAS
    -
    Links to other DB

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