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Entry
CA01189                                                            

Classification
Carotenoid Name
3-Hydroxy-β-homocyclocitral;
3-Hydroxy-beta-homocyclocitral
IUPAC name 8-Apo-3-hydroxy-19-nor-beta-caroten-8-al
Formula
C11H18O2
Molecular Weight 
182.254 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • An aroma component of Asakusa-nori (Ref.623).
  • Number of
    conjugated double bonds 
    0
    Number of
    conjugated multiple bonds 
    0
    Isomers 
    InChI

    InChIKey

    Canonical SMILES

    XLogP
    1.046
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    0
    Complexity of molecule
    0.194
    Number of heavy atoms
    13
    TPSA
    (Topological Polar Surface Area) 
    37.300 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Porphyra tenera (Ref.623) - Red alga: Bangiaceae, Asakusa-nori, same as Pyropia tenera (Rhodophyta - Bangiaceae)
    References
  • Ref.623: Peter Winterhalter and Russell Rouseff, ā€¯Carotenoid-Derived Aroma Compounds: An Introductionā€¯, ACS Symposium Series; American Chemical Society: Washington, DC, 2001., doi: 10.1021/bk-2002-0802.ch001.
  • CAS

    Links to other DB

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