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Entry
CA00734                                                            
Classification
Carotenoid Name
Clathriaxanthin
IUPAC name (3S)-3-Hydroxy-beta,chi-caroten-4-one
Formula
C41H52O2
Molecular Weight 
576.826 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
14 including one ketone (14 in total)
Number of
conjugated multiple bonds 
14 including one ketone (14 in total)
Isomers 
  • Constitutional isomer: CA00568
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    13.790
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    2
    Complexity of molecule
    0.316
    Number of heavy atoms
    43
    TPSA
    (Topological Polar Surface Area) 
    26.300 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Clathria frondifera (Ref.263) - Sea sponge (Porifera - Microcionidae)
    Tedania digitata (Ref.262, Ref.371) - Sea sponge (Porifera - Tedaniidae)
    Microciona prolifera (Ref.372) - Sea sponge (Porifera - Microcionidae)
    References
  • Ref.262: Y Tanaka, SI Akase, S Yamada, Fisheries science, Vol. 67 (2001) No. 2 P 378-379, "Absolute stereochemistry of two carotenoids, clathriaxanthin and isoclathriaxanthin isolated from the marine sponge Tedania digitata".
  • Ref.371: Tanaka, Yoshito; Akase, Shin-Ichirou; Yamada, Shoji, Fisheries Science (2001), 67(2), 378-379., "Absolute stereochemistry of two carotenoids, clathriaxanthin and isoclathriaxanthin isolated from the marine sponge Tedania digitata".
  • Ref.263: Yoshito Tanaka, Teruhisa Katayama, NIPPON SUISAN GAKKAISHI Vol. 42 (1976) No. 7 P 801-805, "Biochemical Studies on The Carotenoids in Porifera. The Structure of Clathriaxianthin in Sea Sponge, Clathria frondifera (Bowerbank)".
  • 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
    60476-08-6
    Links to other DB

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