NP-MRD: Showing NP-Card for Plakinamine G (NP0024641)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2021-06-19 16:57:58 UTC

Updated at

2021-06-29 23:49:06 UTC

NP-MRD ID

NP0024641

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Plakinamine G

Provided By

JEOL Database JEOL Logo

Description

Plakinamine G is found in Corticium sp. Plakinamine G was first documented in 2002 (PMID: 12193035). Based on a literature review very few articles have been published on Plakinamine G.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306192118573D          

 76 80  0  0  0  0            999 V2000
   -2.3850   -7.6061   -0.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1403   -6.6823   -1.3371 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9230   -7.5292   -2.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0008   -5.7039   -0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3315   -5.7721   -0.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7200   -4.5851    0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8447   -4.3110    0.7696 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5617   -3.8816    0.6110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4855   -4.4945    0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2295   -4.0342    0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7410   -2.7574    0.7442 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7596   -3.1555    1.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1246   -1.8095   -0.3187 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1557   -1.4331   -1.4226 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8205   -0.0112   -1.8874 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4711    0.2874   -1.2388 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0533    1.7007   -1.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5423    2.7550   -1.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0654    4.1254   -1.8102 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5649    4.1140   -1.4752 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1356    5.5435   -1.4581 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6322    5.5792   -1.1235 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4125    5.0314   -2.2360 N   0  0  1  0  0  0  0  0  0  0  0  0
    3.9287    4.7980    0.1608 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3666    3.3720    0.1397 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8444    3.3153   -0.1650 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0748    3.9296    1.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4008    1.8184   -0.4199 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4609    0.9459    0.8636 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8713   -0.4645    0.7028 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5607   -0.4272    0.1328 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5226    0.2812    1.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7571   -7.0394    0.3191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292   -8.2868   -0.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0763   -8.2151    0.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4048   -6.1154   -1.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4784   -6.8942   -3.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2389   -8.1491   -2.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6340   -8.2012   -1.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0385   -6.5145   -0.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5541   -3.0144    1.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4488   -4.6125   -0.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5816   -2.2469    1.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1944   -3.5007    1.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5622   -2.3185    2.5225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1670   -3.9628    2.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3078   -2.3544   -0.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0901   -2.1389   -2.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1867   -1.4594   -1.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6003    0.6813   -1.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7736    0.0520   -2.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2742   -0.2455   -1.8539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4904    2.6390   -2.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0658    4.5080   -2.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4885    4.8004   -1.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0700    3.5831   -2.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9619    6.0185   -2.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931    6.1603   -0.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9383    6.6225   -0.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2483    5.5847   -3.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4073    5.1109   -2.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5110    5.3433    1.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0114    4.7548    0.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9147    2.7881   -0.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5815    2.9015    1.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0008    3.7244    0.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4392    3.5314    1.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1922    5.0151    1.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1303    1.3787   -1.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9360    1.4314    1.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.8439    1.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260   -1.0479    0.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8985   -0.9586    1.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4695   -0.1727    2.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2905    1.3438    1.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5662    0.2231    0.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0  0  0  0
 28 17  1  0  0  0  0
 22 21  1  0  0  0  0
 20 21  1  0  0  0  0
 26 25  1  0  0  0  0
 10  9  2  0  0  0  0
 25 24  1  0  0  0  0
 31 16  1  0  0  0  0
 24 22  1  0  0  0  0
 26 27  1  1  0  0  0
 11 10  1  0  0  0  0
 31 13  1  0  0  0  0
 28 29  1  0  0  0  0
 17 16  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  1  0  0  0
 30 29  1  0  0  0  0
 22 23  1  0  0  0  0
 13 11  1  0  0  0  0
  9  8  1  0  0  0  0
 26 20  1  0  0  0  0
 16 15  1  0  0  0  0
 15 14  1  0  0  0  0
  8  6  1  0  0  0  0
  6  5  1  0  0  0  0
  5  4  2  0  0  0  0
  4  9  1  0  0  0  0
 26 28  1  0  0  0  0
  6  7  2  0  0  0  0
 20 19  1  0  0  0  0
  4  2  1  0  0  0  0
 19 18  1  0  0  0  0
  2  1  1  0  0  0  0
 18 17  2  0  0  0  0
  2  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 11 43  1  1  0  0  0
 10 42  1  0  0  0  0
 16 52  1  6  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 28 69  1  6  0  0  0
 30 72  1  0  0  0  0
 30 73  1  0  0  0  0
 29 70  1  0  0  0  0
 29 71  1  0  0  0  0
 20 56  1  6  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 25 64  1  0  0  0  0
 25 65  1  0  0  0  0
 24 62  1  0  0  0  0
 24 63  1  0  0  0  0
 22 59  1  1  0  0  0
 27 66  1  0  0  0  0
 27 67  1  0  0  0  0
 27 68  1  0  0  0  0
 18 53  1  0  0  0  0
 13 47  1  6  0  0  0
 32 74  1  0  0  0  0
 32 75  1  0  0  0  0
 32 76  1  0  0  0  0
 23 60  1  0  0  0  0
 23 61  1  0  0  0  0
  8 41  1  0  0  0  0
  5 40  1  0  0  0  0
  2 36  1  6  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  3 39  1  0  0  0  0
M  END

     RDKit          3D

 76 80  0  0  0  0  0  0  0  0999 V2000
   -2.3850   -7.6061   -0.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1403   -6.6823   -1.3371 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9230   -7.5292   -2.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0008   -5.7039   -0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3315   -5.7721   -0.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7200   -4.5851    0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8447   -4.3110    0.7696 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5617   -3.8816    0.6110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4855   -4.4945    0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2295   -4.0342    0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7410   -2.7574    0.7442 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7596   -3.1555    1.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1246   -1.8095   -0.3187 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1557   -1.4331   -1.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8205   -0.0112   -1.8874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4711    0.2874   -1.2388 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0533    1.7007   -1.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5423    2.7550   -1.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0654    4.1254   -1.8102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5649    4.1140   -1.4752 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1356    5.5435   -1.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6322    5.5792   -1.1235 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4125    5.0314   -2.2360 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9287    4.7980    0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3666    3.3720    0.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8444    3.3153   -0.1650 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0748    3.9296    1.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4008    1.8184   -0.4199 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4609    0.9459    0.8636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8713   -0.4645    0.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5607   -0.4272    0.1328 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5226    0.2812    1.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7571   -7.0394    0.3191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292   -8.2868   -0.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0763   -8.2151    0.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4048   -6.1154   -1.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4784   -6.8942   -3.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2389   -8.1491   -2.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6340   -8.2012   -1.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0385   -6.5145   -0.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5541   -3.0144    1.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4488   -4.6125   -0.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5816   -2.2469    1.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1944   -3.5007    1.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5622   -2.3185    2.5225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1670   -3.9628    2.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3078   -2.3544   -0.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0901   -2.1389   -2.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1867   -1.4594   -1.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6003    0.6813   -1.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7736    0.0520   -2.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2742   -0.2455   -1.8539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4904    2.6390   -2.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0658    4.5080   -2.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4885    4.8004   -1.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0700    3.5831   -2.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9619    6.0185   -2.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931    6.1603   -0.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9383    6.6225   -0.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2483    5.5847   -3.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4073    5.1109   -2.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5110    5.3433    1.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0114    4.7548    0.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9147    2.7881   -0.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5815    2.9015    1.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0008    3.7244    0.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4392    3.5314    1.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1922    5.0151    1.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1303    1.3787   -1.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9360    1.4314    1.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.8439    1.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260   -1.0479    0.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8985   -0.9586    1.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4695   -0.1727    2.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2905    1.3438    1.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5662    0.2231    0.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0
 28 17  1  0
 22 21  1  0
 20 21  1  0
 26 25  1  0
 10  9  2  0
 25 24  1  0
 31 16  1  0
 24 22  1  0
 26 27  1  1
 11 10  1  0
 31 13  1  0
 28 29  1  0
 17 16  1  0
 30 31  1  0
 31 32  1  1
 30 29  1  0
 22 23  1  0
 13 11  1  0
  9  8  1  0
 26 20  1  0
 16 15  1  0
 15 14  1  0
  8  6  1  0
  6  5  1  0
  5  4  2  0
  4  9  1  0
 26 28  1  0
  6  7  2  0
 20 19  1  0
  4  2  1  0
 19 18  1  0
  2  1  1  0
 18 17  2  0
  2  3  1  0
 11 12  1  0
 12 44  1  0
 12 45  1  0
 12 46  1  0
 11 43  1  1
 10 42  1  0
 16 52  1  6
 15 50  1  0
 15 51  1  0
 14 48  1  0
 14 49  1  0
 28 69  1  6
 30 72  1  0
 30 73  1  0
 29 70  1  0
 29 71  1  0
 20 56  1  6
 19 54  1  0
 19 55  1  0
 21 57  1  0
 21 58  1  0
 25 64  1  0
 25 65  1  0
 24 62  1  0
 24 63  1  0
 22 59  1  1
 27 66  1  0
 27 67  1  0
 27 68  1  0
 18 53  1  0
 13 47  1  6
 32 74  1  0
 32 75  1  0
 32 76  1  0
 23 60  1  0
 23 61  1  0
  8 41  1  0
  5 40  1  0
  2 36  1  6
  1 33  1  0
  1 34  1  0
  1 35  1  0
  3 37  1  0
  3 38  1  0
  3 39  1  0
M  END


  Mrv1652306192118573D          

 76 80  0  0  0  0            999 V2000
   -2.3850   -7.6061   -0.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1403   -6.6823   -1.3371 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9230   -7.5292   -2.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0008   -5.7039   -0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3315   -5.7721   -0.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7200   -4.5851    0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8447   -4.3110    0.7696 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5617   -3.8816    0.6110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4855   -4.4945    0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2295   -4.0342    0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7410   -2.7574    0.7442 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7596   -3.1555    1.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1246   -1.8095   -0.3187 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1557   -1.4331   -1.4226 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8205   -0.0112   -1.8874 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4711    0.2874   -1.2388 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0533    1.7007   -1.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5423    2.7550   -1.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0654    4.1254   -1.8102 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5649    4.1140   -1.4752 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1356    5.5435   -1.4581 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6322    5.5792   -1.1235 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4125    5.0314   -2.2360 N   0  0  1  0  0  0  0  0  0  0  0  0
    3.9287    4.7980    0.1608 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3666    3.3720    0.1397 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8444    3.3153   -0.1650 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0748    3.9296    1.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4008    1.8184   -0.4199 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4609    0.9459    0.8636 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8713   -0.4645    0.7028 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5607   -0.4272    0.1328 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5226    0.2812    1.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7571   -7.0394    0.3191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292   -8.2868   -0.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0763   -8.2151    0.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4048   -6.1154   -1.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4784   -6.8942   -3.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2389   -8.1491   -2.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6340   -8.2012   -1.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0385   -6.5145   -0.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5541   -3.0144    1.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4488   -4.6125   -0.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5816   -2.2469    1.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1944   -3.5007    1.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5622   -2.3185    2.5225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1670   -3.9628    2.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3078   -2.3544   -0.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0901   -2.1389   -2.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1867   -1.4594   -1.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6003    0.6813   -1.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7736    0.0520   -2.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2742   -0.2455   -1.8539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4904    2.6390   -2.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0658    4.5080   -2.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4885    4.8004   -1.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0700    3.5831   -2.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9619    6.0185   -2.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931    6.1603   -0.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9383    6.6225   -0.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2483    5.5847   -3.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4073    5.1109   -2.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5110    5.3433    1.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0114    4.7548    0.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9147    2.7881   -0.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5815    2.9015    1.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0008    3.7244    0.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4392    3.5314    1.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1922    5.0151    1.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1303    1.3787   -1.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9360    1.4314    1.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.8439    1.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260   -1.0479    0.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8985   -0.9586    1.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4695   -0.1727    2.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2905    1.3438    1.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5662    0.2231    0.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0  0  0  0
 28 17  1  0  0  0  0
 22 21  1  0  0  0  0
 20 21  1  0  0  0  0
 26 25  1  0  0  0  0
 10  9  2  0  0  0  0
 25 24  1  0  0  0  0
 31 16  1  0  0  0  0
 24 22  1  0  0  0  0
 26 27  1  1  0  0  0
 11 10  1  0  0  0  0
 31 13  1  0  0  0  0
 28 29  1  0  0  0  0
 17 16  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  1  0  0  0
 30 29  1  0  0  0  0
 22 23  1  0  0  0  0
 13 11  1  0  0  0  0
  9  8  1  0  0  0  0
 26 20  1  0  0  0  0
 16 15  1  0  0  0  0
 15 14  1  0  0  0  0
  8  6  1  0  0  0  0
  6  5  1  0  0  0  0
  5  4  2  0  0  0  0
  4  9  1  0  0  0  0
 26 28  1  0  0  0  0
  6  7  2  0  0  0  0
 20 19  1  0  0  0  0
  4  2  1  0  0  0  0
 19 18  1  0  0  0  0
  2  1  1  0  0  0  0
 18 17  2  0  0  0  0
  2  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 11 43  1  1  0  0  0
 10 42  1  0  0  0  0
 16 52  1  6  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 28 69  1  6  0  0  0
 30 72  1  0  0  0  0
 30 73  1  0  0  0  0
 29 70  1  0  0  0  0
 29 71  1  0  0  0  0
 20 56  1  6  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 25 64  1  0  0  0  0
 25 65  1  0  0  0  0
 24 62  1  0  0  0  0
 24 63  1  0  0  0  0
 22 59  1  1  0  0  0
 27 66  1  0  0  0  0
 27 67  1  0  0  0  0
 27 68  1  0  0  0  0
 18 53  1  0  0  0  0
 13 47  1  6  0  0  0
 32 74  1  0  0  0  0
 32 75  1  0  0  0  0
 32 76  1  0  0  0  0
 23 60  1  0  0  0  0
 23 61  1  0  0  0  0
  8 41  1  0  0  0  0
  5 40  1  0  0  0  0
  2 36  1  6  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  3 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0024641

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]N([H])[C@]1([H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@]3([H])C(=C([H])C([H])([H])[C@@]2([H])C1([H])[H])[C@]1([H])C([H])([H])C([H])([H])[C@]([H])([C@@]([H])(C(\[H])=C2/N([H])C(=O)C([H])=C2C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C3([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C29H44N2O/c1-17(2)22-16-27(32)31-26(22)14-18(3)23-8-9-24-21-7-6-19-15-20(30)10-12-28(19,4)25(21)11-13-29(23,24)5/h7,14,16-20,23-25H,6,8-13,15,30H2,1-5H3,(H,31,32)/b26-14-/t18-,19+,20-,23-,24+,25+,28+,29-/m1/s1

> <INCHI_KEY>
CWLJITAGIPFLJD-UOJYZFCXSA-N

> <FORMULA>
C29H44N2O

> <MOLECULAR_WEIGHT>
436.684

> <EXACT_MASS>
436.345364045

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
54.14149674661295

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5Z)-5-[(2S)-2-[(1R,2S,5R,7S,11R,14R,15R)-5-amino-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-14-yl]propylidene]-4-(propan-2-yl)-2,5-dihydro-1H-pyrrol-2-one

> <ALOGPS_LOGP>
6.71

> <JCHEM_LOGP>
4.489273627187347

> <ALOGPS_LOGS>
-5.87

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.346543002547508

> <JCHEM_PKA_STRONGEST_BASIC>
10.386867928782967

> <JCHEM_POLAR_SURFACE_AREA>
55.120000000000005

> <JCHEM_REFRACTIVITY>
135.38219999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.90e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5Z)-5-[(2S)-2-[(1R,2S,5R,7S,11R,14R,15R)-5-amino-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-14-yl]propylidene]-4-isopropyl-1H-pyrrol-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 76 80  0  0  0  0  0  0  0  0999 V2000
   -2.3850   -7.6061   -0.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1403   -6.6823   -1.3371 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9230   -7.5292   -2.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0008   -5.7039   -0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3315   -5.7721   -0.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7200   -4.5851    0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8447   -4.3110    0.7696 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5617   -3.8816    0.6110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4855   -4.4945    0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2295   -4.0342    0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7410   -2.7574    0.7442 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7596   -3.1555    1.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1246   -1.8095   -0.3187 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1557   -1.4331   -1.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8205   -0.0112   -1.8874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4711    0.2874   -1.2388 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0533    1.7007   -1.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5423    2.7550   -1.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0654    4.1254   -1.8102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5649    4.1140   -1.4752 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1356    5.5435   -1.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6322    5.5792   -1.1235 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4125    5.0314   -2.2360 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9287    4.7980    0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3666    3.3720    0.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8444    3.3153   -0.1650 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0748    3.9296    1.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4008    1.8184   -0.4199 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4609    0.9459    0.8636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8713   -0.4645    0.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5607   -0.4272    0.1328 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5226    0.2812    1.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7571   -7.0394    0.3191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292   -8.2868   -0.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0763   -8.2151    0.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4048   -6.1154   -1.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4784   -6.8942   -3.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2389   -8.1491   -2.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6340   -8.2012   -1.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0385   -6.5145   -0.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5541   -3.0144    1.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4488   -4.6125   -0.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5816   -2.2469    1.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1944   -3.5007    1.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5622   -2.3185    2.5225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1670   -3.9628    2.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3078   -2.3544   -0.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0901   -2.1389   -2.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1867   -1.4594   -1.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6003    0.6813   -1.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7736    0.0520   -2.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2742   -0.2455   -1.8539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4904    2.6390   -2.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0658    4.5080   -2.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4885    4.8004   -1.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0700    3.5831   -2.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9619    6.0185   -2.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931    6.1603   -0.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9383    6.6225   -0.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2483    5.5847   -3.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4073    5.1109   -2.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5110    5.3433    1.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0114    4.7548    0.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9147    2.7881   -0.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5815    2.9015    1.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0008    3.7244    0.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4392    3.5314    1.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1922    5.0151    1.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1303    1.3787   -1.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9360    1.4314    1.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.8439    1.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260   -1.0479    0.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8985   -0.9586    1.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4695   -0.1727    2.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2905    1.3438    1.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5662    0.2231    0.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0
 28 17  1  0
 22 21  1  0
 20 21  1  0
 26 25  1  0
 10  9  2  0
 25 24  1  0
 31 16  1  0
 24 22  1  0
 26 27  1  1
 11 10  1  0
 31 13  1  0
 28 29  1  0
 17 16  1  0
 30 31  1  0
 31 32  1  1
 30 29  1  0
 22 23  1  0
 13 11  1  0
  9  8  1  0
 26 20  1  0
 16 15  1  0
 15 14  1  0
  8  6  1  0
  6  5  1  0
  5  4  2  0
  4  9  1  0
 26 28  1  0
  6  7  2  0
 20 19  1  0
  4  2  1  0
 19 18  1  0
  2  1  1  0
 18 17  2  0
  2  3  1  0
 11 12  1  0
 12 44  1  0
 12 45  1  0
 12 46  1  0
 11 43  1  1
 10 42  1  0
 16 52  1  6
 15 50  1  0
 15 51  1  0
 14 48  1  0
 14 49  1  0
 28 69  1  6
 30 72  1  0
 30 73  1  0
 29 70  1  0
 29 71  1  0
 20 56  1  6
 19 54  1  0
 19 55  1  0
 21 57  1  0
 21 58  1  0
 25 64  1  0
 25 65  1  0
 24 62  1  0
 24 63  1  0
 22 59  1  1
 27 66  1  0
 27 67  1  0
 27 68  1  0
 18 53  1  0
 13 47  1  6
 32 74  1  0
 32 75  1  0
 32 76  1  0
 23 60  1  0
 23 61  1  0
  8 41  1  0
  5 40  1  0
  2 36  1  6
  1 33  1  0
  1 34  1  0
  1 35  1  0
  3 37  1  0
  3 38  1  0
  3 39  1  0
M  END

HEADER    PROTEIN                                 19-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-JUN-21         0                                  
HETATM    1  C   UNK     0      -2.385  -7.606  -0.376  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.140  -6.682  -1.337  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.923  -7.529  -2.349  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.001  -5.704  -0.573  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.332  -5.772  -0.381  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.720  -4.585   0.402  0.00  0.00           C+0
HETATM    7  O   UNK     0      -6.845  -4.311   0.770  0.00  0.00           O+0
HETATM    8  N   UNK     0      -4.562  -3.882   0.611  0.00  0.00           N+0
HETATM    9  C   UNK     0      -3.486  -4.495   0.048  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.229  -4.034   0.081  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.741  -2.757   0.744  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.760  -3.155   1.848  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.125  -1.810  -0.319  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.156  -1.433  -1.423  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.821  -0.011  -1.887  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.471   0.287  -1.239  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.053   1.701  -1.147  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.542   2.755  -1.734  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.065   4.125  -1.810  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.565   4.114  -1.475  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.136   5.543  -1.458  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.632   5.579  -1.123  0.00  0.00           C+0
HETATM   23  N   UNK     0       4.412   5.031  -2.236  0.00  0.00           N+0
HETATM   24  C   UNK     0       3.929   4.798   0.161  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.367   3.372   0.140  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.844   3.315  -0.165  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.075   3.930   1.036  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.401   1.818  -0.420  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.461   0.946   0.864  0.00  0.00           C+0
HETATM   30  C   UNK     0       0.871  -0.465   0.703  0.00  0.00           C+0
HETATM   31  C   UNK     0      -0.561  -0.427   0.133  0.00  0.00           C+0
HETATM   32  C   UNK     0      -1.523   0.281   1.117  0.00  0.00           C+0
HETATM   33  H   UNK     0      -1.757  -7.039   0.319  0.00  0.00           H+0
HETATM   34  H   UNK     0      -1.729  -8.287  -0.930  0.00  0.00           H+0
HETATM   35  H   UNK     0      -3.076  -8.215   0.217  0.00  0.00           H+0
HETATM   36  H   UNK     0      -2.405  -6.115  -1.923  0.00  0.00           H+0
HETATM   37  H   UNK     0      -4.478  -6.894  -3.049  0.00  0.00           H+0
HETATM   38  H   UNK     0      -3.239  -8.149  -2.940  0.00  0.00           H+0
HETATM   39  H   UNK     0      -4.634  -8.201  -1.856  0.00  0.00           H+0
HETATM   40  H   UNK     0      -6.038  -6.515  -0.703  0.00  0.00           H+0
HETATM   41  H   UNK     0      -4.554  -3.014   1.124  0.00  0.00           H+0
HETATM   42  H   UNK     0      -1.449  -4.612  -0.410  0.00  0.00           H+0
HETATM   43  H   UNK     0      -2.582  -2.247   1.226  0.00  0.00           H+0
HETATM   44  H   UNK     0       0.194  -3.501   1.435  0.00  0.00           H+0
HETATM   45  H   UNK     0      -0.562  -2.318   2.523  0.00  0.00           H+0
HETATM   46  H   UNK     0      -1.167  -3.963   2.469  0.00  0.00           H+0
HETATM   47  H   UNK     0      -0.308  -2.354  -0.818  0.00  0.00           H+0
HETATM   48  H   UNK     0      -2.090  -2.139  -2.259  0.00  0.00           H+0
HETATM   49  H   UNK     0      -3.187  -1.459  -1.052  0.00  0.00           H+0
HETATM   50  H   UNK     0      -2.600   0.681  -1.550  0.00  0.00           H+0
HETATM   51  H   UNK     0      -1.774   0.052  -2.980  0.00  0.00           H+0
HETATM   52  H   UNK     0       0.274  -0.246  -1.854  0.00  0.00           H+0
HETATM   53  H   UNK     0      -1.490   2.639  -2.252  0.00  0.00           H+0
HETATM   54  H   UNK     0      -0.066   4.508  -2.830  0.00  0.00           H+0
HETATM   55  H   UNK     0      -0.489   4.800  -1.148  0.00  0.00           H+0
HETATM   56  H   UNK     0       2.070   3.583  -2.297  0.00  0.00           H+0
HETATM   57  H   UNK     0       1.962   6.019  -2.433  0.00  0.00           H+0
HETATM   58  H   UNK     0       1.593   6.160  -0.732  0.00  0.00           H+0
HETATM   59  H   UNK     0       3.938   6.622  -0.983  0.00  0.00           H+0
HETATM   60  H   UNK     0       4.248   5.585  -3.076  0.00  0.00           H+0
HETATM   61  H   UNK     0       5.407   5.111  -2.029  0.00  0.00           H+0
HETATM   62  H   UNK     0       3.511   5.343   1.016  0.00  0.00           H+0
HETATM   63  H   UNK     0       5.011   4.755   0.336  0.00  0.00           H+0
HETATM   64  H   UNK     0       3.915   2.788  -0.611  0.00  0.00           H+0
HETATM   65  H   UNK     0       3.582   2.902   1.107  0.00  0.00           H+0
HETATM   66  H   UNK     0       0.001   3.724   0.987  0.00  0.00           H+0
HETATM   67  H   UNK     0       1.439   3.531   1.989  0.00  0.00           H+0
HETATM   68  H   UNK     0       1.192   5.015   1.096  0.00  0.00           H+0
HETATM   69  H   UNK     0       2.130   1.379  -1.118  0.00  0.00           H+0
HETATM   70  H   UNK     0       0.936   1.431   1.692  0.00  0.00           H+0
HETATM   71  H   UNK     0       2.504   0.844   1.185  0.00  0.00           H+0
HETATM   72  H   UNK     0       1.526  -1.048   0.043  0.00  0.00           H+0
HETATM   73  H   UNK     0       0.899  -0.959   1.678  0.00  0.00           H+0
HETATM   74  H   UNK     0      -1.470  -0.173   2.111  0.00  0.00           H+0
HETATM   75  H   UNK     0      -1.291   1.344   1.236  0.00  0.00           H+0
HETATM   76  H   UNK     0      -2.566   0.223   0.791  0.00  0.00           H+0
CONECT    1    2   33   34   35                                             
CONECT    2    4    1    3   36                                             
CONECT    3    2   37   38   39                                             
CONECT    4    5    9    2                                                  
CONECT    5    6    4   40                                                  
CONECT    6    8    5    7                                                  
CONECT    7    6                                                            
CONECT    8    9    6   41                                                  
CONECT    9   10    8    4                                                  
CONECT   10    9   11   42                                                  
CONECT   11   10   13   12   43                                             
CONECT   12   11   44   45   46                                             
CONECT   13   14   31   11   47                                             
CONECT   14   13   15   48   49                                             
CONECT   15   16   14   50   51                                             
CONECT   16   31   17   15   52                                             
CONECT   17   28   16   18                                                  
CONECT   18   19   17   53                                                  
CONECT   19   20   18   54   55                                             
CONECT   20   21   26   19   56                                             
CONECT   21   22   20   57   58                                             
CONECT   22   21   24   23   59                                             
CONECT   23   22   60   61                                                  
CONECT   24   25   22   62   63                                             
CONECT   25   26   24   64   65                                             
CONECT   26   25   27   20   28                                             
CONECT   27   26   66   67   68                                             
CONECT   28   17   29   26   69                                             
CONECT   29   28   30   70   71                                             
CONECT   30   31   29   72   73                                             
CONECT   31   16   13   30   32                                             
CONECT   32   31   74   75   76                                             
CONECT   33    1                                                            
CONECT   34    1                                                            
CONECT   35    1                                                            
CONECT   36    2                                                            
CONECT   37    3                                                            
CONECT   38    3                                                            
CONECT   39    3                                                            
CONECT   40    5                                                            
CONECT   41    8                                                            
CONECT   42   10                                                            
CONECT   43   11                                                            
CONECT   44   12                                                            
CONECT   45   12                                                            
CONECT   46   12                                                            
CONECT   47   13                                                            
CONECT   48   14                                                            
CONECT   49   14                                                            
CONECT   50   15                                                            
CONECT   51   15                                                            
CONECT   52   16                                                            
CONECT   53   18                                                            
CONECT   54   19                                                            
CONECT   55   19                                                            
CONECT   56   20                                                            
CONECT   57   21                                                            
CONECT   58   21                                                            
CONECT   59   22                                                            
CONECT   60   23                                                            
CONECT   61   23                                                            
CONECT   62   24                                                            
CONECT   63   24                                                            
CONECT   64   25                                                            
CONECT   65   25                                                            
CONECT   66   27                                                            
CONECT   67   27                                                            
CONECT   68   27                                                            
CONECT   69   28                                                            
CONECT   70   29                                                            
CONECT   71   29                                                            
CONECT   72   30                                                            
CONECT   73   30                                                            
CONECT   74   32                                                            
CONECT   75   32                                                            
CONECT   76   32                                                            
MASTER        0    0    0    0    0    0    0    0   76    0  160    0
END

RDKit          3D

76 80  0  0  0  0  0  0  0  0999 V2000
   -2.3850   -7.6061   -0.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1403   -6.6823   -1.3371 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9230   -7.5292   -2.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0008   -5.7039   -0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3315   -5.7721   -0.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7200   -4.5851    0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8447   -4.3110    0.7696 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5617   -3.8816    0.6110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4855   -4.4945    0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2295   -4.0342    0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7410   -2.7574    0.7442 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7596   -3.1555    1.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1246   -1.8095   -0.3187 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1557   -1.4331   -1.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8205   -0.0112   -1.8874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4711    0.2874   -1.2388 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0533    1.7007   -1.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5423    2.7550   -1.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0654    4.1254   -1.8102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5649    4.1140   -1.4752 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1356    5.5435   -1.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6322    5.5792   -1.1235 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4125    5.0314   -2.2360 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9287    4.7980    0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3666    3.3720    0.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8444    3.3153   -0.1650 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0748    3.9296    1.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4008    1.8184   -0.4199 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4609    0.9459    0.8636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8713   -0.4645    0.7028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5607   -0.4272    0.1328 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5226    0.2812    1.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7571   -7.0394    0.3191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292   -8.2868   -0.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0763   -8.2151    0.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4048   -6.1154   -1.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4784   -6.8942   -3.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2389   -8.1491   -2.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6340   -8.2012   -1.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0385   -6.5145   -0.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5541   -3.0144    1.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4488   -4.6125   -0.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5816   -2.2469    1.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1944   -3.5007    1.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5622   -2.3185    2.5225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1670   -3.9628    2.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3078   -2.3544   -0.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0901   -2.1389   -2.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1867   -1.4594   -1.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6003    0.6813   -1.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7736    0.0520   -2.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2742   -0.2455   -1.8539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4904    2.6390   -2.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0658    4.5080   -2.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4885    4.8004   -1.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0700    3.5831   -2.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9619    6.0185   -2.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931    6.1603   -0.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9383    6.6225   -0.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2483    5.5847   -3.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4073    5.1109   -2.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5110    5.3433    1.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0114    4.7548    0.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9147    2.7881   -0.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5815    2.9015    1.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0008    3.7244    0.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4392    3.5314    1.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1922    5.0151    1.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1303    1.3787   -1.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9360    1.4314    1.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.8439    1.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260   -1.0479    0.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8985   -0.9586    1.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4695   -0.1727    2.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2905    1.3438    1.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5662    0.2231    0.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0
 28 17  1  0
 22 21  1  0
 20 21  1  0
 26 25  1  0
 10  9  2  0
 25 24  1  0
 31 16  1  0
 24 22  1  0
 26 27  1  1
 11 10  1  0
 31 13  1  0
 28 29  1  0
 17 16  1  0
 30 31  1  0
 31 32  1  1
 30 29  1  0
 22 23  1  0
 13 11  1  0
  9  8  1  0
 26 20  1  0
 16 15  1  0
 15 14  1  0
  8  6  1  0
  6  5  1  0
  5  4  2  0
  4  9  1  0
 26 28  1  0
  6  7  2  0
 20 19  1  0
  4  2  1  0
 19 18  1  0
  2  1  1  0
 18 17  2  0
  2  3  1  0
 11 12  1  0
 12 44  1  0
 12 45  1  0
 12 46  1  0
 11 43  1  1
 10 42  1  0
 16 52  1  6
 15 50  1  0
 15 51  1  0
 14 48  1  0
 14 49  1  0
 28 69  1  6
 30 72  1  0
 30 73  1  0
 29 70  1  0
 29 71  1  0
 20 56  1  6
 19 54  1  0
 19 55  1  0
 21 57  1  0
 21 58  1  0
 25 64  1  0
 25 65  1  0
 24 62  1  0
 24 63  1  0
 22 59  1  1
 27 66  1  0
 27 67  1  0
 27 68  1  0
 18 53  1  0
 13 47  1  6
 32 74  1  0
 32 75  1  0
 32 76  1  0
 23 60  1  0
 23 61  1  0
  8 41  1  0
  5 40  1  0
  2 36  1  6
  1 33  1  0
  1 34  1  0
  1 35  1  0
  3 37  1  0
  3 38  1  0
  3 39  1  0
M  END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₄₄N₂O

Average Mass

436.6840 Da

Monoisotopic Mass

436.34536 Da

IUPAC Name

(5Z)-5-[(2S)-2-[(1R,2S,5R,7S,11R,14R,15R)-5-amino-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-14-yl]propylidene]-4-(propan-2-yl)-2,5-dihydro-1H-pyrrol-2-one

Traditional Name

(5Z)-5-[(2S)-2-[(1R,2S,5R,7S,11R,14R,15R)-5-amino-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-14-yl]propylidene]-4-isopropyl-1H-pyrrol-2-one

CAS Registry Number

Not Available

SMILES

[H]N([H])[C@]1([H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@]3([H])C(=C([H])C([H])([H])[C@@]2([H])C1([H])[H])[C@]1([H])C([H])([H])C([H])([H])[C@]([H])([C@@]([H])(C(\[H])=C2/N([H])C(=O)C([H])=C2C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C3([H])[H]

InChI Identifier

InChI=1S/C29H44N2O/c1-17(2)22-16-27(32)31-26(22)14-18(3)23-8-9-24-21-7-6-19-15-20(30)10-12-28(19,4)25(21)11-13-29(23,24)5/h7,14,16-20,23-25H,6,8-13,15,30H2,1-5H3,(H,31,32)/b26-14-/t18-,19+,20-,23-,24+,25+,28+,29-/m1/s1

InChI Key

CWLJITAGIPFLJD-UOJYZFCXSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Corticium sp. (in: Fungi)	JEOL database	Borbone, N., et al, J. Nat. Prod. 65, 1206 (2002)

Chemical Taxonomy

Classification

Not classified

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	6.71	ALOGPS
logP	4.49	ChemAxon
logS	-5.9	ALOGPS
pKa (Strongest Acidic)	11.35	ChemAxon
pKa (Strongest Basic)	10.39	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	55.12 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	135.38 m³·mol⁻¹	ChemAxon
Polarizability	54.14 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00045377

Chemspider ID

10214057

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21592303

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Borbone N, De Marino S, Iorizzi M, Zollo F, Debitus C, Esposito G, Iuvone T: Minor steroidal alkaloids from the marine sponge Corticium sp. J Nat Prod. 2002 Aug;65(8):1206-9. doi: 10.1021/np020027r. [PubMed:12193035 ]
Borbone, N., et al. (2002). Borbone, N., et al, J. Nat. Prod. 65, 1206 (2002). J. Nat. Prod..

Showing NP-Card for Plakinamine G (NP0024641)

MOL for NP0024641 (Plakinamine G)

3D MOL for NP0024641 (Plakinamine G)

3D SDF for NP0024641 (Plakinamine G)

3D-SDF for NP0024641 (Plakinamine G)

PDB for NP0024641 (Plakinamine G)

3D PDB for NP0024641 (Plakinamine G)

SMILES for NP0024641 (Plakinamine G)

INCHI for NP0024641 (Plakinamine G)

Structure for NP0024641 (Plakinamine G)

3D Structure for NP0024641 (Plakinamine G)