Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA01207   
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Entry
CA01207                                                            
Classification
Carotenoid Name
5,6-Epoxy-3-hydroxy-β-ionone
IUPAC name 9-Apo-3-hydroxy-5,6-epoxy-5,6-dihydro-beta-caroten-9-one
Formula
C13H20O3
Molecular Weight 
224.29 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
2 including one ketone (2 in total)
Number of
conjugated multiple bonds 
2 including one ketone (2 in total)
Isomers 
  • Constitutional isomer: CA01021, CA01019, CA01012, CA01118, CA01015, CA00805, CA00843
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    1.187
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    0
    Complexity of molecule
    0.194
    Number of heavy atoms
    16
    TPSA
    (Topological Polar Surface Area) 
    49.830 Å2
    Reaction
  • Product: CR00101
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Rosa damascena (Ref.530) - Land plant: Rosaceae: Damask rose (Streptophyta - Rosaceae)
    References
  • Ref.530: Huang FC1, Horváth G, Molnár P, Turcsi E, Deli J, Schrader J, Sandmann G, Schmidt H, Schwab W., Phytochemistry. 2009 Mar;70(4):457-64. doi: 10.1016/j.phytochem.2009.01.020. Epub 2009 Mar 4., "Substrate promiscuity of RdCCD1, a carotenoid cleavage oxygenase from Rosa damascena.".
    • CAS

    Links to other DB

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