Carotenoids obi
All carotenoids     All organisms   Feedback
Carotenoids DB          Carotenoids DB: CA00376   
[   About  |   Help  |   Search carotenoid entry  |   Search organism entry  |   Search similar carotenoids  |   Predict biological activities of this carotenoid  |   Search possible pathways   ]
Entry
CA00376                                                            

Classification
Carotenoid Name
Zeaxanthin monomethyl ether;
3-Methoxyzeaxanthin
IUPAC name 3'-Methoxy-beta,beta-caroten-3-ol
Formula
C41H58O2
Molecular Weight 
582.874 g/mol
Structure   
Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11
Number of
conjugated multiple bonds 
11
Isomers 
  • Constitutional isomer: CA00090, CA00156, CA00165, CA00166, CA00265
  • InChI
    InChI=1S/C41H58O2/c1-30(18-14-20-32(3)22-24-38-34(5)26-36(42)28-40(38,7)8)16-12-13-17-31(2)19-15-21-33(4)23-25-39-35(6)27-37(43-11)29-41(39,9)10/h12-25,36-37,42H,26-29H2,1-11H3/b13-12+,18-14+,19-15+,24-22+,25-23+,30-16+,31-17+,32-20+,33-21+
    InChIKey
    CHXMWPSKJUTLIQ-DGBNVKNUSA-N
    Canonical SMILES
    COC1CC(=C(C(C1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CC(CC1(C)C)O)\C)\C)/C)/C)C
    XLogP
    11.083
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    2
    LipinskiFailures
    2
    Complexity of molecule
    0.297
    Number of heavy atoms
    43
    TPSA
    (Topological Polar Surface Area) 
    29.460 Å2
    Source organisms
    Homo sapiens (Ref.196) - Human
    References
  • Ref.196 : Bhosale P, Zhao da Y, Serban B, Bernstein PS., Invest Ophthalmol Vis Sci. 2007 Apr;48(4):1435-40., "Identification of 3-methoxyzeaxanthin as a novel age-related carotenoid metabolite in the human macula.".
  • CAS
    106454-61-9
    Links to other DB

       Search other references with Google Scholar