Carotenoids obi
All carotenoids     All organisms   Feedback
Carotenoids DB          Carotenoids DB: CA01189   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible pathways   ]
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   
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/C11H18O2/c1-8-6-9(13)7-11(2,3)10(8)4-5-12/h5,9,13H,4,6-7H2,1-3H3
    InChIKey
    OMGSDYLMCMLYBR-UHFFFAOYSA-N
    Canonical SMILES
    O=CCC1=C(C)CC(CC1(C)C)O
    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
    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