NP-MRD: Showing NP-Card for methyl 4-(3-{[(1s)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-2,6-dimethoxyphenoxy)benzoate (NP0247866)

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Record Information

Version

2.0

Created at

2022-09-07 09:52:09 UTC

Updated at

2022-09-07 09:52:10 UTC

NP-MRD ID

NP0247866

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 4-(3-{[(1s)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-2,6-dimethoxyphenoxy)benzoate

Description

Talcamine belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached. methyl 4-(3-{[(1s)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-2,6-dimethoxyphenoxy)benzoate is found in Berberis buxifolia. Based on a literature review very few articles have been published on Talcamine.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072211522D          

 52 57  0  0  1  0            999 V2000
   -8.5737    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  2  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 30 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 33 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 32 42  1  0  0  0  0
 42 43  2  0  0  0  0
 20 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 18 46  1  0  0  0  0
 46 47  1  0  0  0  0
 16 48  2  0  0  0  0
 10 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
  8 51  1  0  0  0  0
 51 52  2  0  0  0  0
  5 52  1  0  0  0  0
M  END

     RDKit          3D

 96101  0  0  0  0  0  0  0  0999 V2000
   11.8038   -0.2048    1.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4373   -0.1456    0.7460 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7918   -1.1619    0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4136   -2.2019   -0.1967 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3753   -1.0323   -0.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7212   -2.0467   -0.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4016   -1.9734   -1.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6466   -0.8256   -0.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3393   -0.7759   -1.3410 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1825   -0.9859   -0.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8311   -2.2883   -0.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6662   -3.3455   -0.6044 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3299   -4.6653   -0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759   -2.5125    0.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8484   -1.4605    0.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1398   -0.1574    0.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2113    0.9426    0.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6555    1.2820   -0.5598 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7511    2.2170   -0.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9468    3.4030   -0.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9672    4.2908   -0.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8661    3.9902    0.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8941    4.8585    0.6341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0757    6.0728   -0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6891    2.8172    1.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5806    2.4957    2.0518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3487    2.8946    3.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6584    1.9370    0.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5945    0.7654    1.5216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3241   -0.3574    1.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0896   -0.3287   -0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8026   -1.4300   -0.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7393   -2.5711    0.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9611   -2.6080    1.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2547   -1.5034    1.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4654   -1.5084    3.0165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3970   -2.6984    3.7991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4696   -3.7831   -0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7175   -3.4177   -0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3609   -2.5507   -1.9889 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7152   -2.8520   -3.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6446   -1.3764   -1.6684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6787   -0.3249   -2.3283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0306    3.7591   -2.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2972    3.1706   -1.7268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1513    1.7102   -1.6601 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3796    1.2853   -2.9403 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3258    0.0788   -0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6783    1.3507   -0.7222 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3624    2.3074    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3143    0.1756   -0.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6496    0.0856    0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3943   -0.8622    0.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2091    0.8342    1.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8232   -0.5606    2.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3376   -2.9331   -1.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9602   -2.7936   -1.8014 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3759   -4.9099   -0.7581 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1857   -4.7235    0.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1409   -5.3577   -0.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174   -3.5485    0.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0674   -1.6827    1.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3752    0.6589    1.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7804    1.8663    0.9727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0981    0.2742   -0.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0754    5.2170   -1.2423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1061    6.4682    0.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3246    6.8067    0.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9679    5.9683   -1.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2756    2.9804    3.6354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7529    2.0924    4.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9245    3.8085    3.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1544    0.5776   -0.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9166   -3.5192    2.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2063   -3.5831    3.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3421   -2.8116    4.3465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5884   -2.6417    4.5473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7060   -4.3713    0.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8154   -4.4431   -0.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2418   -4.3157   -1.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3720   -2.8622   -0.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8009   -2.6637   -3.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4723   -3.9334   -3.5137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1132   -2.2819   -4.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8905    4.8739   -2.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5305    3.5034   -0.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1102    3.4118   -2.4073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1065    0.2167   -3.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1179    1.8665   -3.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1919    2.7162   -0.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8139    1.8709    0.9234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6707    3.1447    0.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8408    1.1074   -0.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1720    0.8936    0.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
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 14 15  2  0
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 17 18  1  0
 18 46  1  0
 46 47  1  0
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 44 20  1  0
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 19 28  1  0
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 32 33  2  0
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 48 10  1  0
 19 18  1  0
 35 30  1  0
 21 20  1  0
 42 32  1  0
  1 53  1  0
  1 54  1  0
  1 55  1  0
  6 56  1  0
  7 57  1  0
 13 58  1  0
 13 59  1  0
 13 60  1  0
 14 61  1  0
 15 62  1  0
 17 63  1  0
 17 64  1  0
 18 65  1  6
 47 89  1  0
 47 90  1  0
 47 91  1  0
 45 87  1  0
 45 88  1  0
 44 85  1  0
 44 86  1  0
 31 73  1  0
 38 78  1  0
 38 79  1  0
 39 80  1  0
 39 81  1  0
 41 82  1  0
 41 83  1  0
 41 84  1  0
 34 74  1  0
 37 75  1  0
 37 76  1  0
 37 77  1  0
 27 70  1  0
 27 71  1  0
 27 72  1  0
 24 67  1  0
 24 68  1  0
 24 69  1  0
 21 66  1  0
 50 92  1  0
 50 93  1  0
 50 94  1  0
 51 95  1  0
 52 96  1  0
M  END


  Mrv1652309072211522D          

 52 57  0  0  1  0            999 V2000
   -8.5737    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  2  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 30 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 33 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 32 42  1  0  0  0  0
 42 43  2  0  0  0  0
 20 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 18 46  1  0  0  0  0
 46 47  1  0  0  0  0
 16 48  2  0  0  0  0
 10 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
  8 51  1  0  0  0  0
 51 52  2  0  0  0  0
  5 52  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0247866

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C1=CC=C(OC2=C(OC)C=CC(C[C@@H]3N(C)CCC4=C3C(OC3=CC5=C(CCN(C)C5=O)C=C3OC)=C(OC)C(OC)=C4)=C2OC)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C40H44N2O10/c1-41-17-16-25-21-33(47-5)36(49-7)38(52-32-22-28-24(20-31(32)46-4)15-18-42(2)39(28)43)34(25)29(41)19-26-11-14-30(45-3)37(35(26)48-6)51-27-12-9-23(10-13-27)40(44)50-8/h9-14,20-22,29H,15-19H2,1-8H3/t29-/m0/s1

> <INCHI_KEY>
RORFESPGBUIBMY-LJAQVGFWSA-N

> <FORMULA>
C40H44N2O10

> <MOLECULAR_WEIGHT>
712.796

> <EXACT_MASS>
712.299595625

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
96

> <JCHEM_AVERAGE_POLARIZABILITY>
75.75880773220152

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl 4-(3-{[(1S)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2,6-dimethoxyphenoxy)benzoate

> <JCHEM_LOGP>
5.581008415333333

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
7.354585125711989

> <JCHEM_POLAR_SURFACE_AREA>
114.46000000000001

> <JCHEM_REFRACTIVITY>
195.95239999999993

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
methyl 4-(3-{[(1S)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl}-2,6-dimethoxyphenoxy)benzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0     -16.004   4.620   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0     -14.670   3.850   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0     -13.337   4.620   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0     -13.337   6.160   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0     -12.003   3.850   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -10.669   4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -9.336   3.850   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -9.336   2.310   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -8.002   1.540   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -8.002  -0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0     -10.669  -0.000   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0     -12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -0.000  -7.700   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   40  N   UNK     0       4.001  -2.310   0.000  0.00  0.00           N+0
HETATM   41  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      -5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   46  N   UNK     0      -6.668  -5.390   0.000  0.00  0.00           N+0
HETATM   47  C   UNK     0      -8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0      -5.335   0.000   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0     -10.669   1.540   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0     -12.003   2.310   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   52                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   51                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   48                                                  
CONECT   11   10   12   14                                                  
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14   11   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   48                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   46                                                  
CONECT   19   18   20   28                                                  
CONECT   20   19   21   44                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   25                                                  
CONECT   23   22   24                                                       
CONECT   24   23                                                            
CONECT   25   22   26   28                                                  
CONECT   26   25   27                                                       
CONECT   27   26                                                            
CONECT   28   25   19   29                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   35                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   42                                                  
CONECT   33   32   34   38                                                  
CONECT   34   33   35                                                       
CONECT   35   34   30   36                                                  
CONECT   36   35   37                                                       
CONECT   37   36                                                            
CONECT   38   33   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   32   43                                                  
CONECT   43   42                                                            
CONECT   44   20   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   18   47                                                  
CONECT   47   46                                                            
CONECT   48   16   10   49                                                  
CONECT   49   48   50                                                       
CONECT   50   49                                                            
CONECT   51    8   52                                                       
CONECT   52   51    5                                                       
MASTER        0    0    0    0    0    0    0    0   52    0  114    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₀H₄₄N₂O₁₀

Average Mass

712.7960 Da

Monoisotopic Mass

712.29960 Da

IUPAC Name

methyl 4-(3-{[(1S)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2,6-dimethoxyphenoxy)benzoate

Traditional Name

methyl 4-(3-{[(1S)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl}-2,6-dimethoxyphenoxy)benzoate

CAS Registry Number

Not Available

SMILES

COC(=O)C1=CC=C(OC2=C(OC)C=CC(C[C@@H]3N(C)CCC4=C3C(OC3=CC5=C(CCN(C)C5=O)C=C3OC)=C(OC)C(OC)=C4)=C2OC)C=C1

InChI Identifier

InChI=1S/C40H44N2O10/c1-41-17-16-25-21-33(47-5)36(49-7)38(52-32-22-28-24(20-31(32)46-4)15-18-42(2)39(28)43)34(25)29(41)19-26-11-14-30(45-3)37(35(26)48-6)51-27-12-9-23(10-13-27)40(44)50-8/h9-14,20-22,29H,15-19H2,1-8H3/t29-/m0/s1

InChI Key

RORFESPGBUIBMY-LJAQVGFWSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Berberis buxifolia	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Sub Class

Benzylisoquinolines

Direct Parent

Benzylisoquinolines

Alternative Parents

Substituents

Benzylisoquinoline
Diphenylether
Diaryl ether
Isoquinolone
Benzoate ester
Tetrahydroisoquinoline
Dimethoxybenzene
M-dimethoxybenzene
Benzoic acid or derivatives
Methoxybenzene
Anisole
Benzoyl
Phenoxy compound
Phenol ether
Aralkylamine
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Methyl ester
Tertiary carboxylic acid amide
Tertiary amine
Lactam
Amino acid or derivatives
Carboxylic acid ester
Carboxamide group
Tertiary aliphatic amine
Monocarboxylic acid or derivatives
Azacycle
Ether
Carboxylic acid derivative
Organonitrogen compound
Amine
Organic nitrogen compound
Organic oxide
Organopnictogen compound
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	5.58	ChemAxon
pKa (Strongest Basic)	7.35	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	114.46 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	195.95 m³·mol⁻¹	ChemAxon
Polarizability	75.76 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

102082197

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl 4-(3-{[(1s)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-2,6-dimethoxyphenoxy)benzoate (NP0247866)

MOL for NP0247866 (methyl 4-(3-{[(1s)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-2,6-dimethoxyphenoxy)benzoate)

3D MOL for NP0247866 (methyl 4-(3-{[(1s)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-2,6-dimethoxyphenoxy)benzoate)

3D SDF for NP0247866 (methyl 4-(3-{[(1s)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-2,6-dimethoxyphenoxy)benzoate)

3D-SDF for NP0247866 (methyl 4-(3-{[(1s)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-2,6-dimethoxyphenoxy)benzoate)

PDB for NP0247866 (methyl 4-(3-{[(1s)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-2,6-dimethoxyphenoxy)benzoate)

3D PDB for NP0247866 (methyl 4-(3-{[(1s)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-2,6-dimethoxyphenoxy)benzoate)

SMILES for NP0247866 (methyl 4-(3-{[(1s)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-2,6-dimethoxyphenoxy)benzoate)

INCHI for NP0247866 (methyl 4-(3-{[(1s)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-2,6-dimethoxyphenoxy)benzoate)

Structure for NP0247866 (methyl 4-(3-{[(1s)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-2,6-dimethoxyphenoxy)benzoate)

3D Structure for NP0247866 (methyl 4-(3-{[(1s)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl}-2,6-dimethoxyphenoxy)benzoate)