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Carotenoids DB          Carotenoids DB: CA00176   
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Entry
CA00176                                                            

Classification
Carotenoid Name
Methoxyspheroidenone
IUPAC name 1,1'-Dimethoxy-3,4-didehydro-1,2,1',2',7',8'-hexahydro-psi,psi-caroten-2-one
Formula
C42H62O3
Molecular Weight 
614.916 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11 including one ketone (11 in total)
Number of
conjugated multiple bonds 
11 including one ketone (11 in total)
Isomers 
  • Constitutional isomer: CA00158
  • InChI

    InChIKey

    Canonical SMILES

    XLogP
    12.047
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    45
    TPSA
    (Topological Polar Surface Area) 
    35.530 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Rhodobacter sphaeroides (Ref.507) - Alphaproteobacteria: phototrophic purple non-sulfur bacteria (Alphaproteobacteria - Rhodobacteraceae)
    References
  • Ref.507: George Britton, Harish C. Malhotra, Raj Kumari Singh 1, Sandra Taylor, Trevor W. Goodwin, Avraham Ben-Aziz, Phytochemistry, Volume 15, Issue 12, 1976, Pages 1971-1972, "Methoxyspheroidene and methoxyspheroidenone, two carotenoids from Rhodopseudomonas spheroides".
  • CAS
    62691-07-0
    Links to other DB

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