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Entry
CA00212                                                            

Classification
Carotenoid Name
Myxol 2'-chinovoside;
Myxoxanthophyll
IUPAC name (3R,2'S)-2'-(alpha-L-Chinovosyloxy)-3',4'-didehydro-1',2'-dihydro-beta,psi-carotene-3,1'-diol
Formula
C46H66O7
Molecular Weight 
730.988 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
12
Number of
conjugated multiple bonds 
12
Isomers 
  • Constitutional isomer: CA00103, CA00946, CA00230, CA00961, CA00240, CA00211, CA00269, CA00561
  • InChI
    InChI=1S/C46H66O7/c1-31(17-12-13-18-32(2)20-15-23-34(4)25-27-39-36(6)29-38(47)30-45(39,8)9)19-14-21-33(3)22-16-24-35(5)26-28-40(46(10,11)51)53-44-43(50)42(49)41(48)37(7)52-44/h12-28,37-38,40-44,47-51H,29-30H2,1-11H3/b13-12+,19-14+,20-15+,22-16+,27-25+,28-26+,31-17+,32-18+,33-21+,34-23+,35-24+/t37?,38-,40+,41?,42?,43?,44?/m1/s1
    InChIKey
    MUCOHWBULSBLLZ-HSIZPOBFSA-N
    Canonical SMILES
    C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C[C@H](CC1(C)C)O)/C)/C)/C=C/C=C(/C=C/C=C(/C=C/[C@@H](C(O)(C)C)OC1OC(C)C(C(C1O)O)O)\C)\C
    XLogP
    9.973
    Hydrogen Bond donors
    (Lipinski's definition)
    5
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    7
    LipinskiFailures
    2
    Complexity of molecule
    0.303
    Number of heavy atoms
    53
    TPSA
    (Topological Polar Surface Area) 
    119.610 Å2
    Source organisms
    Stigonema ocellatum (Ref.603) - Cyanobacteria: terrestrial cyanobacteria sampled from rock surfaces containing chlorophyll a
    Stigonema hormoides (Ref.603) - Cyanobacteria: terrestrial cyanobacteria sampled from rock surfaces containing chlorophyll a
    Scytonema crassum (Ref.603) - Cyanobacteria: terrestrial cyanobacteria sampled from rock surfaces containing chlorophyll a
    References
  • Ref.603 : M Lakatos, W Bilger, B Büdel, Eur. J. Phycol. (2001), 36: 367–375., "Carotenoid composition of terrestrial Cyanobacteria: response to natural light conditions in open rock habitats in Venezuela".
  • CAS
    11004-68-5
    Links to other DB
    KNApSAcK: C00051694
    ProCarDB: C1814

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