Carotenoids obi
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Carotenoids DB          Carotenoids DB: CA01011   
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Entry
CA01011                                                            
Classification
Carotenoid Name
6-methyl-5-hepten-2-one;
MHO;
Isoprenylacetone;
Sulcatone
IUPAC name 5'-Apo-psi-caroten-5'-one
Formula
C8H14O
Molecular Weight 
126.192 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
  • Contribute to tomato flavor (Ref.393).
    • Number of
    conjugated double bonds 
    0
    Number of
    conjugated multiple bonds 
    0
    Isomers 
    InChI

    InChIKey

    Canonical SMILES

    XLogP
    1.796
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    0
    Complexity of molecule
    0.000
    Number of heavy atoms
    9
    TPSA
    (Topological Polar Surface Area) 
    17.070 Å2
    Reaction
  • Product: CR00431
    • Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Laurus nobilis L. (Ref.397) - 
    Solanum lycopersicum (Ref.393) - Land plant: Solanaceae: tomato, same as Lycopersicon esculentum (Streptophyta - Solanaceae)
    References
  • Ref.393: Jonathan T Vogel, Denise M Tieman, Charles A Sims, Asli Z Odabasi, David G Clark, and Harry J Klee, J Sci Food Agric. 2010 Oct;90(13):2233-40. doi: 10.1002/jsfa.4076., "Carotenoid content impacts flavor acceptability in tomato (Solanum lycopersicum).".
  • Ref.397: Yahyaa, Mosaab; Berim, Anna; Isaacson, Tal; Marzouk, Sally; Bar, Einat; Davidovich-Rikanati, Rachel; Lewinsohn, Efraim; Ibdah, Mwafaq, ournal of Agricultural and Food Chemistry (2015), 63(37), 8275-8282., "Isolation and Functional Characterization of Carotenoid Cleavage Dioxygenase-1 from Laurus nobilis L. (Bay Laurel) Fruits".
    • CAS
    110-93-0
    Links to other DB
    KEGG COMPOUND: C07287

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