NP-MRD: Showing NP-Card for (9s)-5-(2,4-dimethoxy-5-{[(6r)-4-methoxy-7-methyl-2h,6h,8h,9h-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)-4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene (NP0165119)

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Record Information

Version

2.0

Created at

2022-09-03 00:09:00 UTC

Updated at

2022-09-03 00:09:00 UTC

NP-MRD ID

NP0165119

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(9s)-5-(2,4-dimethoxy-5-{[(6r)-4-methoxy-7-methyl-2h,6h,8h,9h-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)-4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene

Description

Przewalskinine belongs to the class of organic compounds known as aporphines. These are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof. (9s)-5-(2,4-dimethoxy-5-{[(6r)-4-methoxy-7-methyl-2h,6h,8h,9h-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)-4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene is found in Thalictrum przewalskii. (9s)-5-(2,4-dimethoxy-5-{[(6r)-4-methoxy-7-methyl-2h,6h,8h,9h-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)-4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene was first documented in 1998 (PMID: 17253231). Based on a literature review very few articles have been published on Przewalskinine.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032202092D          

 54 61  0  0  1  0            999 V2000
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   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
    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 O   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
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    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
    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 C   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
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   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
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    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    3.3000    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    2.0625    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    2.0625    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
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  2  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
    0.7145   -0.4125    0.0000 N   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   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    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
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8592   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 N   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
   10.0727   -2.6326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5577   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0727   -3.9674    0.0000 O   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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  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  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  2  0  0  0  0
 18 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 12 31  1  0  0  0  0
 30 32  1  6  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 28 35  1  0  0  0  0
  8 36  1  0  0  0  0
 36 37  2  0  0  0  0
  3 37  1  0  0  0  0
 37 38  1  0  0  0  0
 39 38  1  1  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 42 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 40 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 39 50  1  0  0  0  0
 50 51  1  0  0  0  0
 46 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 45 54  1  0  0  0  0
M  END

     RDKit          3D

102109  0  0  0  0  0  0  0  0999 V2000
    5.7497   -4.9129   -0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4740   -3.5065   -0.1695 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1393   -3.1425   -0.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300   -4.0688   -0.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8028   -3.7074   -0.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8430   -4.7154   -0.6543 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2335   -6.0443   -0.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4952   -2.3650   -0.6344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3307   -1.8556   -0.7716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9055   -1.4579   -0.6295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2164   -0.0736   -0.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4982    0.4011   -0.6225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5164   -0.4811   -0.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2786   -1.8091   -0.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9558   -2.2828   -0.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7584   -3.6402   -0.1884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7872   -4.5492    0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8738    0.0299   -0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9087   -0.7722    0.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8798   -2.1372    0.3437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4115   -2.9382   -0.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1541   -0.2161    0.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2422   -0.9888    0.9840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2368   -1.4827    0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3067    1.1546    0.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5258    1.7064    0.8787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5543    1.9545   -0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2681    1.9676    0.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0270    1.4151   -0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0193    2.3884   -0.5335 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6873    1.8562   -0.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2098    4.6264   -0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1590    3.9453    0.9361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3633    3.4495    0.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5735   -1.4337   -0.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8768   -1.7828   -0.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9982   -0.8200   -0.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5809    0.5402    0.2302 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7888    1.3894    0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0982    2.1409   -0.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2470    2.9352   -0.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5579    3.6939   -2.0695 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7536    3.6994   -3.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0933    2.9647    0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7777    2.2081    1.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6227    1.4208    1.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2660    0.5901    2.4434 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7892    0.6214    2.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596    0.5322    1.5125 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0195    1.6592    1.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7621    2.4044    2.2266 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8774    3.0008    1.5432 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3211   -6.6921   -0.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3715    0.5915   -1.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4694   -4.5930   -0.7523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3557   -5.5429    0.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2512   -3.4983   -0.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6313   -3.6353   -1.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7064   -2.2409   -1.5261 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1859   -0.9022    0.3018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9835   -1.3382   -0.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5032   -2.5304    0.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7219    3.0613   -0.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4882    1.4686    0.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3195    1.5997   -1.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4301    2.8710   -1.4826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3801    2.0720   -1.8681 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2856    3.8140   -0.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8769    0.9538   -0.5511 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4644    2.1409   -1.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8014    4.2440   -3.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4439    2.6760   -3.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6588   -0.4487    2.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7242    1.0297    3.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768    1.5973    3.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4534   -0.1831    3.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5689    2.5479    1.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7091    1.8975    2.5776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379    1.4888    0.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5512    2.1853    1.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2952    3.7338    2.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
 44 43  1  0
 43 42  1  0
 42 45  2  0
 45 54  1  0
 54 53  1  0
 53 52  1  0
 52 46  1  0
 46 47  2  0
 47 48  1  0
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 49 50  1  0
 50 51  1  0
 50 39  1  0
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 36  8  1  0
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  8  5  2  0
  5  6  1  0
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  5  4  1  0
  4  3  2  0
  3  2  1  0
  2  1  1  0
 39 40  1  0
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 46 45  1  0
 40 47  1  0
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 15 10  1  0
 29 18  1  0
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 53101  1  0
 53102  1  0
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 51100  1  0
 39 89  1  6
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 36 86  1  0
 11 62  1  0
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 27 73  1  0
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 30 76  1  6
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 31 78  1  0
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 33 81  1  0
 34 82  1  0
 34 83  1  0
 35 84  1  0
 35 85  1  0
  7 59  1  0
  7 60  1  0
  7 61  1  0
  4 58  1  0
  1 55  1  0
  1 56  1  0
  1 57  1  0
 41 90  1  0
M  END


  Mrv1652309032202092D          

 54 61  0  0  1  0            999 V2000
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   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
    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 O   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
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    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
    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 C   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
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   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
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    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    3.3000    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    2.0625    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    2.0625    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
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  2  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
    0.7145   -0.4125    0.0000 N   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   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    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
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8592   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 N   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
   10.0727   -2.6326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5577   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0727   -3.9674    0.0000 O   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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  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  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  2  0  0  0  0
 18 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 12 31  1  0  0  0  0
 30 32  1  6  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 28 35  1  0  0  0  0
  8 36  1  0  0  0  0
 36 37  2  0  0  0  0
  3 37  1  0  0  0  0
 37 38  1  0  0  0  0
 39 38  1  1  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 42 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 40 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 39 50  1  0  0  0  0
 50 51  1  0  0  0  0
 46 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 45 54  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0165119

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C2OCOC2=C2CCN(C)[C@H](CC3=CC(OC4=CC5=C(C=C4OC)C4=C(OC)C(OC)=C(OC)C6=C4[C@H](C5)N(C)CC6)=C(OC)C=C3OC)C2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C42H48N2O10/c1-43-12-10-24-27(19-35(48-6)40-39(24)52-21-53-40)28(43)15-23-17-34(32(47-5)20-30(23)45-3)54-33-16-22-14-29-36-25(11-13-44(29)2)38(49-7)42(51-9)41(50-8)37(36)26(22)18-31(33)46-4/h16-20,28-29H,10-15,21H2,1-9H3/t28-,29+/m1/s1

> <INCHI_KEY>
QLUTYCPBZVWXAF-WDYNHAJCSA-N

> <FORMULA>
C42H48N2O10

> <MOLECULAR_WEIGHT>
740.85

> <EXACT_MASS>
740.330895754

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
102

> <JCHEM_AVERAGE_POLARIZABILITY>
81.55406752395993

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(9S)-5-(2,4-dimethoxy-5-{[(6R)-4-methoxy-7-methyl-2H,6H,7H,8H,9H-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)-4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,13(17),14-hexaene

> <ALOGPS_LOGP>
4.79

> <JCHEM_LOGP>
5.775420484333334

> <ALOGPS_LOGS>
-5.24

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
7.570253778275956

> <JCHEM_POLAR_SURFACE_AREA>
98.78000000000002

> <JCHEM_REFRACTIVITY>
204.1664999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.26e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(9S)-5-(2,4-dimethoxy-5-{[(6R)-4-methoxy-7-methyl-2H,6H,8H,9H-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)-4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,13(17),14-hexaene

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       9.336  -6.930   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       6.668  -2.310   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       5.335  -3.080   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       9.336  -0.770   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       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       5.335   4.620   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       2.667   6.160   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   3.850   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   3.850   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   32  N   UNK     0       1.334  -0.770   0.000  0.00  0.00           N+0
HETATM   33  C   UNK     0       1.334  -2.310   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       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      13.337  -4.620   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      14.670  -5.390   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      14.670  -6.930   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      16.004  -7.700   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      16.004  -9.240   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      17.338 -10.010   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      17.338  -6.930   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      17.338  -5.390   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      16.004  -4.620   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      16.004  -3.080   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      14.670  -2.310   0.000  0.00  0.00           C+0
HETATM   50  N   UNK     0      13.337  -3.080   0.000  0.00  0.00           N+0
HETATM   51  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      18.802  -4.914   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0      19.708  -6.160   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0      18.802  -7.406   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   37                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6                                                            
CONECT    8    5    9   36                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   31                                                  
CONECT   13   12   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   10   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   13   19   29                                                  
CONECT   19   18   20   22                                                  
CONECT   20   19   21                                                       
CONECT   21   20                                                            
CONECT   22   19   23   25                                                  
CONECT   23   22   24                                                       
CONECT   24   23                                                            
CONECT   25   22   26   28                                                  
CONECT   26   25   27                                                       
CONECT   27   26                                                            
CONECT   28   25   29   35                                                  
CONECT   29   28   18   30                                                  
CONECT   30   29   31   32                                                  
CONECT   31   30   12                                                       
CONECT   32   30   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   28                                                       
CONECT   36    8   37                                                       
CONECT   37   36    3   38                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40   50                                                  
CONECT   40   39   41   47                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43   45                                                  
CONECT   43   42   44                                                       
CONECT   44   43                                                            
CONECT   45   42   46   54                                                  
CONECT   46   45   47   52                                                  
CONECT   47   46   40   48                                                  
CONECT   48   47   49                                                       
CONECT   49   48   50                                                       
CONECT   50   49   39   51                                                  
CONECT   51   50                                                            
CONECT   52   46   53                                                       
CONECT   53   52   54                                                       
CONECT   54   53   45                                                       
MASTER        0    0    0    0    0    0    0    0   54    0  122    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₂H₄₈N₂O₁₀

Average Mass

740.8500 Da

Monoisotopic Mass

740.33090 Da

IUPAC Name

(9S)-5-(2,4-dimethoxy-5-{[(6R)-4-methoxy-7-methyl-2H,6H,7H,8H,9H-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)-4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,13(17),14-hexaene

Traditional Name

(9S)-5-(2,4-dimethoxy-5-{[(6R)-4-methoxy-7-methyl-2H,6H,8H,9H-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)-4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,13(17),14-hexaene

CAS Registry Number

Not Available

SMILES

COC1=C2OCOC2=C2CCN(C)[C@H](CC3=CC(OC4=CC5=C(C=C4OC)C4=C(OC)C(OC)=C(OC)C6=C4[C@H](C5)N(C)CC6)=C(OC)C=C3OC)C2=C1

InChI Identifier

InChI=1S/C42H48N2O10/c1-43-12-10-24-27(19-35(48-6)40-39(24)52-21-53-40)28(43)15-23-17-34(32(47-5)20-30(23)45-3)54-33-16-22-14-29-36-25(11-13-44(29)2)38(49-7)42(51-9)41(50-8)37(36)26(22)18-31(33)46-4/h16-20,28-29H,10-15,21H2,1-9H3/t28-,29+/m1/s1

InChI Key

QLUTYCPBZVWXAF-WDYNHAJCSA-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
Thalictrum przewalskii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aporphines. These are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Aporphines

Sub Class

Not Available

Direct Parent

Aporphines

Alternative Parents

Substituents

Aporphine
Tannin
Benzylisoquinoline
Phenanthrene
Benzoquinoline
Diaryl ether
M-dimethoxybenzene
Dimethoxybenzene
Tetrahydroisoquinoline
Quinoline
Naphthalene
Benzodioxole
Phenoxy compound
Methoxybenzene
Phenol ether
Anisole
Aralkylamine
Alkyl aryl ether
Benzenoid
Monocyclic benzene moiety
Tertiary aliphatic amine
Tertiary amine
Oxacycle
Azacycle
Organoheterocyclic compound
Ether
Acetal
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Amine
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	4.79	ALOGPS
logP	5.78	ChemAxon
logS	-5.2	ALOGPS
pKa (Strongest Basic)	7.57	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	98.78 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	204.17 m³·mol⁻¹	ChemAxon
Polarizability	81.55 Å³	ChemAxon
Number of Rings	8	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

101937461

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Zhang GL, Rucker G, Breitmeier E, Mayer R, Steinbeck C: Alkaloids from Thalictrum przewalskii. Planta Med. 1998 Mar;64(2):165-71. doi: 10.1055/s-2006-957396. [PubMed:17253231 ]
LOTUS database [Link]

Showing NP-Card for (9s)-5-(2,4-dimethoxy-5-{[(6r)-4-methoxy-7-methyl-2h,6h,8h,9h-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)-4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene (NP0165119)

MOL for NP0165119 ((9s)-5-(2,4-dimethoxy-5-{[(6r)-4-methoxy-7-methyl-2h,6h,8h,9h-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)-4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene)

3D MOL for NP0165119 ((9s)-5-(2,4-dimethoxy-5-{[(6r)-4-methoxy-7-methyl-2h,6h,8h,9h-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)-4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene)

3D SDF for NP0165119 ((9s)-5-(2,4-dimethoxy-5-{[(6r)-4-methoxy-7-methyl-2h,6h,8h,9h-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)-4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene)

3D-SDF for NP0165119 ((9s)-5-(2,4-dimethoxy-5-{[(6r)-4-methoxy-7-methyl-2h,6h,8h,9h-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)-4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene)

PDB for NP0165119 ((9s)-5-(2,4-dimethoxy-5-{[(6r)-4-methoxy-7-methyl-2h,6h,8h,9h-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)-4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene)

3D PDB for NP0165119 ((9s)-5-(2,4-dimethoxy-5-{[(6r)-4-methoxy-7-methyl-2h,6h,8h,9h-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)-4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene)

SMILES for NP0165119 ((9s)-5-(2,4-dimethoxy-5-{[(6r)-4-methoxy-7-methyl-2h,6h,8h,9h-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)-4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene)

INCHI for NP0165119 ((9s)-5-(2,4-dimethoxy-5-{[(6r)-4-methoxy-7-methyl-2h,6h,8h,9h-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)-4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene)

Structure for NP0165119 ((9s)-5-(2,4-dimethoxy-5-{[(6r)-4-methoxy-7-methyl-2h,6h,8h,9h-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)-4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene)

3D Structure for NP0165119 ((9s)-5-(2,4-dimethoxy-5-{[(6r)-4-methoxy-7-methyl-2h,6h,8h,9h-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)-4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene)