Carotenoids obi
All carotenoids     All organisms   Feedback
Carotenoids DB          Carotenoids DB: CA01187   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible pathways   ]
Entry
CA01187                                                            

Classification
Carotenoid Name
α-cyclocitral;
alpha-cyclocitral
IUPAC name 7-Apo-epsilon-caroten-7-al
Formula
C10H16O
Molecular Weight 
152.228 g/mol
Structure   
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
    InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h5,7,9H,4,6H2,1-3H3
    InChIKey
    ZVZRJSHOOULAGB-UHFFFAOYSA-N
    Canonical SMILES
    O=CC1C(=CCCC1(C)C)C
    XLogP
    3.017
    Hydrogen Bond donors
    (Lipinski's definition)
    0
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    1
    LipinskiFailures
    0
    Complexity of molecule
    0.222
    Number of heavy atoms
    11
    TPSA
    (Topological Polar Surface Area) 
    17.070 Å2
    Source organisms
    Porphyra tenera (Ref.623) - Red alga: Bangiaceae, Asakusa-nori, same as Pyropia tenera
    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

       Search other references with Google Scholar