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Entry
CA00728                                                            
Classification
Carotenoid Name
Tedaniaxanthin;
Allopurpurin
IUPAC name (3R)-7,8-Didehydro-beta,chi-caroten-3-ol
Formula
C40H50O
Molecular Weight 
546.8 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11
Number of
conjugated multiple bonds 
13
Isomers 
  • Constitutional isomer: CA01124, CA00363, CA00723
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    14.100
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    1
    Complexity of molecule
    0.330
    Number of heavy atoms
    41
    TPSA
    (Topological Polar Surface Area) 
    20.230 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Microciona prolifera (Ref.372) - Sea sponge (Porifera - Microcionidae)
    References
  • Ref.372: Litchfield, Carter; Liaaen-Jensen, Synnoeve, Comparative Biochemistry and Physiology, Part B: Biochemistry & Molecular Biology (1980), 66B(3), 359-65., "Animal carotenoids. Part 23. Carotenoids of the marine sponge, Microciona prolifera".
    • CAS
    63893-29-8
    Links to other DB
    KNApSAcK: C00022840

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