Carotenoids obi
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Entry
CA00844                                                            
Classification
Carotenoid Name
β-Apo-12'-carotenal;
beta-Apo-12'-carotenal;
12'-apo-Carotenal
IUPAC name 12'-Apo-beta-caroten-12'-al
Formula
C25H34O
Molecular Weight 
350.522 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • Induce cell cycle arrest in cancer cells (Ref.415).
    • Number of
    conjugated double bonds 
    8 including one aldehyde (8 in total)
    Number of
    conjugated multiple bonds 
    8 including one aldehyde (8 in total)
    Isomers 
  • Constitutional isomer: CA01219
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    7.904
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    1
    Complexity of molecule
    0.100
    Number of heavy atoms
    26
    TPSA
    (Topological Polar Surface Area) 
    17.070 Å2
    Reaction
    Pathway
  • Pathway: CB000123
    • Major carotenoid information

    Minor carotenoid information

    Source organisms
    Cucumis melo Inodorus Group (Ref.392)  - Land plant: orange-fleshed muskmelon "honeydew" (Streptophyta - Cucurbitaceae)
    References
  • Ref.392: Fleshman, Matthew K.; Lester, Gene E.; Riedl, Ken M.; Kopec, Rachel E.; Narayanasamy, Sureshbabu; Curley, Robert W.; Schwartz, Steven J.; Harrison, Earl H., Journal of Agricultural and Food Chemistry (2011), 59(9), 4448-4454., "Carotene and Novel Apocarotenoid Concentrations in Orange-Fleshed Cucumis melo Melons: Determinations of β-Carotene Bioaccessibility and Bioavailability".
  • Ref.415: Takuji Tanaka, Masahito Shnimizu, and Hisataka Moriwaki, Molecules 2012, 17, 3202-3242; doi:10.3390/molecules17033202, "Cancer Chemoprevention by Carotenoids".
    • CAS
    1638-05-7
    Links to other DB
    KEGG COMPOUND: C19812

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