Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA01110   
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Entry
CA01110                                                            
Classification
Carotenoid Name
Tetrahydroionone
IUPAC name 9-Apo-5,6,7,8,-tetrahydro-beta-caroten-9-one
Formula
C13H24O
Molecular Weight 
196.322 g/mol
Structure      Search similar carotenoids

Mol file
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Biological functions/Properties 
Number of
conjugated double bonds 
0
Number of
conjugated multiple bonds 
0
Isomers 
  • Constitutional isomer: CA01109
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    5.073
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    1
    Complexity of molecule
    0.158
    Number of heavy atoms
    14
    TPSA
    (Topological Polar Surface Area) 
    17.070 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Phormidium sp. (Ref.532) - Cyanobacteria (Cyanobacteria - Oscillatoriaceae)
    References
  • Ref.532: C. Höckelmann andF. Jüttner, Flavour and Fragrance Journal, Volume 20, Issue 4, pages 387–394, July/August 2005, "Off-flavours in water: hydroxyketones and β-ionone derivatives as new odour compounds of freshwater cyanobacteria".
    • CAS

    Links to other DB

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