NP-MRD: Showing NP-Card for 2,3,10,11-tetramethoxy-1-({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-hexaen-5-yl}oxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphene (NP0192265)

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Record Information

Version

2.0

Created at

2022-09-04 09:26:13 UTC

Updated at

2022-09-04 09:26:13 UTC

NP-MRD ID

NP0192265

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2,3,10,11-tetramethoxy-1-({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-hexaen-5-yl}oxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphene

Description

2,3,10,11-Tetramethoxy-1-({4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]Heptadeca-1(16),2,4,6,13(17),14-hexaen-5-yl}oxy)-7,8,12b,13-tetrahydro-5H-6-azatetraphene belongs to the class of organic compounds known as protoberberine alkaloids and derivatives. These are alkaloids with a structure based on a protoberberine moiety, which consists of a 5,6-dihydrodibenzene moiety fused to a quinolizinium and forming 5,6-Dihydrodibenzo(a,g)quinolizinium skeleton. 2,3,10,11-Tetramethoxy-1-({4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]Heptadeca-1(16),2,4,6,13(17),14-hexaen-5-yl}oxy)-7,8,12b,13-tetrahydro-5H-6-azatetraphene is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004251509212D          

 53 60  0  0  0  0            999 V2000
   10.0026    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    4.5375    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
    8.5737    3.3000    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
    7.8592    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 N   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
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    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
    5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 N   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    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    3.3000    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
    7.8592    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    6.1875    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  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
 13 14  1  0  0  0  0
 12 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 36 39  1  0  0  0  0
 39 40  1  0  0  0  0
 22 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 20 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 39 45  2  0  0  0  0
 24 45  1  0  0  0  0
 29 45  1  0  0  0  0
 18 46  2  0  0  0  0
 10 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
  8 48  1  0  0  0  0
 48 49  1  0  0  0  0
  5 49  2  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
  3 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
M  END

     RDKit          3D

101108  0  0  0  0  0  0  0  0999 V2000
   -7.9999    4.2520    3.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2765    3.3313    2.6900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6453    2.3836    2.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2533    1.5343    1.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5508    0.5203    0.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2011    0.3181    0.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5794    1.1371    1.7956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2336    2.1867    2.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7754    3.0567    3.3105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5027    3.2041    3.8858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6107   -0.7864    0.1572 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1241   -0.9684    0.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8161   -1.8229   -0.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6307   -2.9132   -1.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4253   -3.7204   -2.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4182   -3.4278   -3.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2449   -4.2697   -4.1780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1254   -5.3776   -4.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6054   -2.3318   -2.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5989   -2.0062   -3.8514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9739   -1.1209   -4.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8270   -1.5156   -1.8226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0561   -0.4274   -1.6423 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1853   -0.2252   -1.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0423   -1.2224   -0.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2903   -0.9315   -0.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7075    0.3798   -0.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8753    1.4158   -0.5662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6027    1.0903   -1.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2494    2.1195   -1.4033 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0558    3.4700   -1.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1032    0.6927    0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5117    1.9490    0.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7314    3.0770    0.3421 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1403    3.5265    1.6056 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8222    2.1621    0.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2776    3.4077    1.1394 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8560    4.3559    0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7082    1.1069    0.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0054    1.3177    1.3954 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4256    1.2996    2.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2785   -0.1665    0.6694 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9932   -0.3866    0.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5811   -1.7102   -0.1843 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1754   -2.0816    0.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4281   -2.8035    0.1763 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0596   -3.4382   -0.9803 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3950   -2.5158    1.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2239   -1.2985    0.8271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7038   -3.1975   -0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3558   -1.9823    0.4144 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6985   -1.8629   -0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1223   -0.4407   -0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3841    5.1418    3.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6431    3.9775    4.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7295    4.7216    2.4834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3084    1.6559    0.9494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5130    0.9979    2.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6962    2.8826    3.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4605    2.6724    4.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2691    4.2950    4.0745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7883   -0.5692   -0.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6207   -0.0049    0.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8462   -1.5096    1.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0473   -4.5896   -2.2934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1949   -5.0078   -4.3544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875   -5.8938   -5.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0780   -6.1041   -3.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9555   -0.6335   -4.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0928   -1.7274   -5.8217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2522   -0.2814   -4.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7272   -2.2824   -0.9072 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1669    2.4201   -0.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5650    3.8362   -2.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8810    4.0939   -1.2113 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6800    3.7547   -0.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0736    3.6864    1.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2986    2.7649    2.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7256    4.4294    1.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3121    4.3691   -0.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9101    4.1511    0.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7704    5.3699    0.7766 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8725    0.5737    3.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1926    2.3204    3.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5180    1.0879    2.7405 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6541   -1.6651   -1.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9122   -2.9590   -0.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9495   -2.4029    1.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9092   -2.7636   -1.8504 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6356   -4.4334   -1.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1479   -3.5357   -0.8015 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0727   -3.3755    1.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8879   -2.4142    2.1674 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7891   -1.5162   -0.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9397   -1.0835    1.6164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1560   -3.6132    0.8374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4192   -3.9100   -0.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4467   -2.2401    0.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8492   -2.4798   -0.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2292   -0.3662   -0.4176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7330   -0.1833   -1.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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 49 42  1  0
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 22 19  1  0
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 25 72  1  0
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 35 77  1  0
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 21 69  1  0
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 15 65  1  0
 50 96  1  0
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 52 99  1  0
 53100  1  0
 53101  1  0
M  END


  Mrv1533004251509212D          

 53 60  0  0  0  0            999 V2000
   10.0026    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    4.5375    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
    8.5737    3.3000    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
    7.8592    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 N   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
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    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
    5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 N   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    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    3.3000    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
    7.8592    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    6.1875    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  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
 13 14  1  0  0  0  0
 12 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 36 39  1  0  0  0  0
 39 40  1  0  0  0  0
 22 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 20 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 39 45  2  0  0  0  0
 24 45  1  0  0  0  0
 29 45  1  0  0  0  0
 18 46  2  0  0  0  0
 10 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
  8 48  1  0  0  0  0
 48 49  1  0  0  0  0
  5 49  2  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
  3 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0192265

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC2=C(C=C1OC)C1CC3=C(OC4=CC5=C(C=C4OC)C4=C6C(C5)N(C)CCC6=C(OC)C(OC)=C4OC)C(OC)=C(OC)C=C3CN1CC2

> <INCHI_IDENTIFIER>
InChI=1S/C42H48N2O9/c1-43-12-11-25-36-30(43)14-23-16-34(33(47-4)20-27(23)37(36)41(51-8)42(52-9)38(25)49-6)53-39-28-18-29-26-19-32(46-3)31(45-2)15-22(26)10-13-44(29)21-24(28)17-35(48-5)40(39)50-7/h15-17,19-20,29-30H,10-14,18,21H2,1-9H3

> <INCHI_KEY>
AFLFUXQTWZZMDX-UHFFFAOYSA-N

> <FORMULA>
C42H48N2O9

> <MOLECULAR_WEIGHT>
724.851

> <EXACT_MASS>
724.335981134

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
101

> <JCHEM_AVERAGE_POLARIZABILITY>
80.21321303497496

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,3,10,11-tetramethoxy-1-({4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaen-5-yl}oxy)-7,8,12b,13-tetrahydro-5H-6-azatetraphene

> <ALOGPS_LOGP>
5.04

> <JCHEM_LOGP>
5.745743052333335

> <ALOGPS_LOGS>
-5.28

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
6.497387911467651

> <JCHEM_POLAR_SURFACE_AREA>
89.55000000000003

> <JCHEM_REFRACTIVITY>
203.41739999999993

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.78e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,3,10,11-tetramethoxy-1-({4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaen-5-yl}oxy)-7,8,12b,13-tetrahydro-5H-6-azatetraphene

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  C   UNK     0      18.672  10.780   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      18.672   9.240   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      17.338   8.470   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      17.338   6.930   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      16.004   6.160   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      16.004   4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      14.670   3.850   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      13.337   4.620   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      12.003   3.850   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.002   6.160   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       6.668   6.930   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.336   6.930   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       9.336   8.470   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       8.002   9.240   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.668   8.470   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.335   9.240   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.001   8.470   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.667   9.240   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0       1.334   8.470   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.000   9.240   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.000  10.780   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.334  11.550   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.334  13.090   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       0.000  13.860   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -1.334  13.090   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.667  13.860   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       2.667  15.400   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       4.001  16.170   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       4.001  13.090   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       5.335  13.860   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       6.668  13.090   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       4.001  11.550   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       5.335  10.780   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       6.668  11.550   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       8.002  10.780   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       9.336  11.550   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      10.669  10.780   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       2.667  10.780   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      10.669   6.160   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      12.003   6.930   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      13.337   6.160   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      14.670   6.930   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      14.670   8.470   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      16.004   9.240   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      16.004  10.780   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0      17.338  11.550   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   51                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   49                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   48                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   46                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15   12   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   15   19   46                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   42                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   40                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   45                                                  
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   45                                                  
CONECT   30   29   31   33                                                  
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33   30   34   36                                                  
CONECT   34   33   35                                                       
CONECT   35   34                                                            
CONECT   36   33   37   39                                                  
CONECT   37   36   38                                                       
CONECT   38   37                                                            
CONECT   39   36   40   45                                                  
CONECT   40   39   22   41                                                  
CONECT   41   40   42                                                       
CONECT   42   41   20   43                                                  
CONECT   43   42   44                                                       
CONECT   44   43                                                            
CONECT   45   39   24   29                                                  
CONECT   46   18   10   47                                                  
CONECT   47   46   48                                                       
CONECT   48   47    8   49                                                  
CONECT   49   48    5   50                                                  
CONECT   50   49   51                                                       
CONECT   51   50    3   52                                                  
CONECT   52   51   53                                                       
CONECT   53   52                                                            
MASTER        0    0    0    0    0    0    0    0   53    0  120    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₂H₄₈N₂O₉

Average Mass

724.8510 Da

Monoisotopic Mass

724.33598 Da

IUPAC Name

2,3,10,11-tetramethoxy-1-({4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaen-5-yl}oxy)-7,8,12b,13-tetrahydro-5H-6-azatetraphene

Traditional Name

2,3,10,11-tetramethoxy-1-({4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaen-5-yl}oxy)-7,8,12b,13-tetrahydro-5H-6-azatetraphene

CAS Registry Number

Not Available

SMILES

COC1=CC2=C(C=C1OC)C1CC3=C(OC4=CC5=C(C=C4OC)C4=C6C(C5)N(C)CCC6=C(OC)C(OC)=C4OC)C(OC)=C(OC)C=C3CN1CC2

InChI Identifier

InChI=1S/C42H48N2O9/c1-43-12-11-25-36-30(43)14-23-16-34(33(47-4)20-27(23)37(36)41(51-8)42(52-9)38(25)49-6)53-39-28-18-29-26-19-32(46-3)31(45-2)15-22(26)10-13-44(29)21-24(28)17-35(48-5)40(39)50-7/h15-17,19-20,29-30H,10-14,18,21H2,1-9H3

InChI Key

AFLFUXQTWZZMDX-UHFFFAOYSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as protoberberine alkaloids and derivatives. These are alkaloids with a structure based on a protoberberine moiety, which consists of a 5,6-dihydrodibenzene moiety fused to a quinolizinium and forming 5,6-Dihydrodibenzo(a,g)quinolizinium skeleton.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Protoberberine alkaloids and derivatives

Sub Class

Not Available

Direct Parent

Protoberberine alkaloids and derivatives

Alternative Parents

Substituents

Aporphine
Protoberberine skeleton
Tetrahydroprotoberberine skeleton
Benzoquinoline
Phenanthrene
Diaryl ether
Tetrahydroisoquinoline
Quinoline
Naphthalene
Phenol ether
Anisole
Aralkylamine
Alkyl aryl ether
Benzenoid
Tertiary aliphatic amine
Tertiary amine
Azacycle
Organoheterocyclic compound
Ether
Hydrocarbon derivative
Organonitrogen compound
Organic oxygen compound
Organic nitrogen compound
Organooxygen 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	5.04	ALOGPS
logP	5.75	ChemAxon
logS	-5.3	ALOGPS
pKa (Strongest Basic)	6.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	89.55 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	203.42 m³·mol⁻¹	ChemAxon
Polarizability	80.21 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

21600089

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2,3,10,11-tetramethoxy-1-({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-hexaen-5-yl}oxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphene (NP0192265)

MOL for NP0192265 (2,3,10,11-tetramethoxy-1-({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-hexaen-5-yl}oxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphene)

3D MOL for NP0192265 (2,3,10,11-tetramethoxy-1-({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-hexaen-5-yl}oxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphene)

3D SDF for NP0192265 (2,3,10,11-tetramethoxy-1-({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-hexaen-5-yl}oxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphene)

3D-SDF for NP0192265 (2,3,10,11-tetramethoxy-1-({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-hexaen-5-yl}oxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphene)

PDB for NP0192265 (2,3,10,11-tetramethoxy-1-({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-hexaen-5-yl}oxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphene)

3D PDB for NP0192265 (2,3,10,11-tetramethoxy-1-({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-hexaen-5-yl}oxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphene)

SMILES for NP0192265 (2,3,10,11-tetramethoxy-1-({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-hexaen-5-yl}oxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphene)

INCHI for NP0192265 (2,3,10,11-tetramethoxy-1-({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-hexaen-5-yl}oxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphene)

Structure for NP0192265 (2,3,10,11-tetramethoxy-1-({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-hexaen-5-yl}oxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphene)

3D Structure for NP0192265 (2,3,10,11-tetramethoxy-1-({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-hexaen-5-yl}oxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphene)