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Entry
CA00733                                                            
Classification
Carotenoid Name
Thorexanthin
IUPAC name 3-Methoxy-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
    Thorecta horridus (Ref.288) - Sea sponge (Porifera - Thorectidae)
    References
  • Ref.288: Ernesto Fattorusso*, Virginia Lanzotti3, Silvana Magno, and Luciano Mayol, Z. Naturforsch. 47b, 1477- 1479 (1992); received March 28, 1992, "Thorexanthin, a New Carotenoid Pigment from the Caribbean Sponge Thorecta horridus".
    • CAS
    145038-22-8
    Links to other DB
    KNApSAcK: C00022988

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