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Carotenoids DB          Carotenoids DB: CA01045   
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Entry
CA01045                                                            
Classification
Carotenoid Name
4-Oxoretinol;
all-trans-4-Oxoretinol;
Retin-4-one, 15-hydroxy
IUPAC name 4-oxo-15-apo-beta-caroten-15-ol
Formula
C20H28O2
Molecular Weight 
300.424 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • Activate transcription of the retinoic acid receptors (Ref.423).
    • Number of
    conjugated double bonds 
    6 including one ketone (6 in total)
    Number of
    conjugated multiple bonds 
    6 including one ketone (6 in total)
    Isomers 
  • Constitutional isomer: CA01221, CA01036, CA01000, CA01140
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    4.185
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    0
    Complexity of molecule
    0.120
    Number of heavy atoms
    22
    TPSA
    (Topological Polar Surface Area) 
    37.300 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms

    References
  • Ref.423: CHARLES C. ACHKAR, FADILA DERGUINI, BRUCE BLUMBERG, ALEXANDER LANGSTON, ARTHUR A. LEVINTII, JEFFREY SPECKS, RONALD M. EVANS, JACK BOLADO, JR., KoJi NAKANISHI, JOCHEN BUCK, AND LORRAINE J. GUDAS, Proc. Natl. Acad. Sci. USA Vol. 93, pp. 4879-4884, May 1996 Pharmacology, "4-Oxoretinol, a new natural ligand and transactivator of the retinoic acid receptors".
    • CAS
    62702-55-0
    Links to other DB

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