NP-MRD: Showing NP-Card for Gelsemicine (NP0050873)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-04-27 22:19:46 UTC

Updated at

2022-04-27 22:19:46 UTC

NP-MRD ID

NP0050873

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Gelsemicine

Description

Geissospermine belongs to the class of organic compounds known as strychnos alkaloids. These are alkaloids having a core structure based on the strychnan, stemmadenine (seco-curan), or the akuammicine (curan) skeleton. Gelsemicine is found in Apis cerana, Geissospermum laeve, Gelsemium elegans, Gelsemium sempervirens and Mostuea brunonis. Gelsemicine was first documented in 2009 (PMID: 19463267). Based on a literature review a small amount of articles have been published on geissospermine (PMID: 22143154) (PMID: 32920358) (PMID: 28282127) (PMID: 20844909).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282200192D          

 47 56  0  0  1  0            999 V2000
    2.5043    2.1547    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5779    1.2749    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4501    1.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8286    1.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2371    2.5460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2182    3.3849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5021    3.8121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7746    3.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7258    2.5933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9089    2.1783    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2932    1.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7922    1.0789    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3671    0.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0718   -0.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7623    0.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5244    0.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3040    1.4971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4977    1.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0670    1.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9310    3.8003    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6471    3.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6505    2.5657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3599    3.8061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0760    3.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9276    4.6253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2114    5.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4987    4.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0165    3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2081    5.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9208    6.2753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    5.8657    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6404    5.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3498    6.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3464    7.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6303    7.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9175    7.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1300    7.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6176    6.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1354    6.0294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4377    6.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7702    7.5434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2826    8.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4624    8.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6527    1.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0983    1.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7198    0.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8957    0.5163    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  6  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 12 11  1  1  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  2 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  1  0  0  0  0
  6 20  1  1  0  0  0
 20 21  1  1  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 20  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 25 32  1  0  0  0  0
 31 33  1  6  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 30 36  1  0  0  0  0
 34 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 33 39  1  0  0  0  0
 38 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 37 43  2  0  0  0  0
  4 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
  3 47  1  0  0  0  0
M  END

     RDKit          3D

 95104  0  0  0  0  0  0  0  0999 V2000
    0.0972    1.9696    2.7659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2669    2.5564    2.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7064    2.0950    0.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8877    2.7386    0.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9134    1.7440   -0.0580 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1963    2.1029    0.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9655    0.9930    1.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7844   -0.2916    0.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4871   -0.5536   -0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5463   -1.7230   -0.7094 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8032   -2.1957   -0.7463 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4105   -3.3208   -1.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7794   -3.5152   -1.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5770   -2.6080   -0.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9781   -1.4891    0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6157   -1.2859   -0.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4476    0.4332    0.3173 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1597    0.1876   -0.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0678    0.9493    0.1936 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0233    1.4489   -0.7181 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4734    2.4871   -1.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1430    3.6975   -1.5440 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3388    2.1622   -2.6662 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8603    3.0983   -3.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7404    0.3507   -1.4638 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7112    1.0132   -2.2583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9428    0.3816   -2.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5174    0.4433   -0.7404 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8611   -0.1580   -0.7676 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8307   -1.6352   -0.3924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3046   -1.6959    1.0103 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0333   -0.9654    1.9692 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1251   -0.8684    3.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7357   -0.9063    2.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8945   -1.2419    1.0567 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9937   -2.3625    0.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9722   -3.6624    1.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0522   -4.5698    0.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1695   -4.1570   -0.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2043   -2.8647   -0.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1300   -1.9267   -0.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3920   -0.5696   -0.5599 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5270   -0.0942    0.2212 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5027    0.3214    1.6026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8703    0.4755    0.1505 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.1290    1.9227   -0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5022    2.1308   -1.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8464    2.3119    2.3442 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1580    2.3219    3.8209 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842    0.8484    2.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8128    3.4148    2.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6802    3.3608   -0.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3807    3.4328    1.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8129    2.4635   -0.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1601    2.9743    1.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0594    1.2475    1.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6576    0.7804    2.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7371   -2.2085   -1.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8097   -4.0657   -1.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2440   -4.4088   -1.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6339   -2.8210   -0.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5665   -0.7709    0.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2703    0.3352    1.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3962    0.4907   -1.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9320   -0.9064   -0.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6405    0.2705    0.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7518    1.9583   -0.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0729    3.7827   -3.9281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1472    2.4888   -4.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7803    3.5963   -3.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0194   -0.1473   -2.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6459    0.9693   -2.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9543   -0.6433   -2.5486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6184    1.5473   -0.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2889   -0.0753   -1.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1212   -2.1770   -1.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8694   -2.0112   -0.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3143   -2.7823    1.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2845   -1.7393    3.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2953    0.0821    3.6373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1431   -1.7000    3.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2313    0.0814    2.6603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6537   -4.0225    1.9276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0233   -5.6025    1.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5533   -4.8610   -0.6519 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4889   -2.5148   -1.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0838    0.7043    0.8843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8346    1.1623    1.9413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4586    0.5033    2.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8280   -0.0683    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3370    2.6025    0.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0356    2.2110    0.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1235    3.0450   -1.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6260    2.2104   -2.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1313    1.2865   -1.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
 47 46  1  0
 46 45  1  0
 45 44  1  0
 44 32  1  0
 32 33  1  0
 33 34  1  0
 35 34  1  1
 35 31  1  0
 31 30  1  0
 30 29  1  0
 29 28  1  0
 28 27  1  0
 27 26  1  0
 26 25  1  0
 25 20  1  0
 20 19  1  0
 19 18  1  0
 18 17  1  0
 17  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  5  4  1  0
  4  3  1  0
  3  2  2  0
  2  1  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 25 42  1  0
 42 43  1  0
 42 41  1  0
 41 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 29 45  1  0
 43 28  1  0
 40 41  1  0
 31 32  1  0
  3 19  1  0
 43 35  1  0
 36 35  1  0
  9 17  1  0
 16 11  1  0
 16  8  1  0
 47 93  1  0
 47 94  1  0
 47 95  1  0
 46 91  1  0
 46 92  1  0
 45 90  1  1
 44 88  1  0
 44 89  1  0
 33 79  1  0
 33 80  1  0
 34 81  1  0
 34 82  1  0
 31 78  1  1
 30 76  1  0
 30 77  1  0
 29 75  1  6
 28 74  1  1
 27 72  1  0
 27 73  1  0
 25 71  1  6
 20 67  1  1
 19 66  1  1
 18 64  1  0
 18 65  1  0
 17 63  1  1
  6 54  1  0
  6 55  1  0
  7 56  1  0
  7 57  1  0
 10 58  1  0
 12 59  1  0
 13 60  1  0
 14 61  1  0
 15 62  1  0
  4 52  1  0
  4 53  1  0
  2 51  1  0
  1 48  1  0
  1 49  1  0
  1 50  1  0
 24 68  1  0
 24 69  1  0
 24 70  1  0
 43 87  1  1
 37 83  1  0
 38 84  1  0
 39 85  1  0
 40 86  1  0
M  END


  Mrv1652304282200192D          

 47 56  0  0  1  0            999 V2000
    2.5043    2.1547    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5779    1.2749    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4501    1.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8286    1.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2371    2.5460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2182    3.3849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5021    3.8121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7746    3.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7258    2.5933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9089    2.1783    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2932    1.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7922    1.0789    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3671    0.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0718   -0.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7623    0.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5244    0.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3040    1.4971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4977    1.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0670    1.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9310    3.8003    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6471    3.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6505    2.5657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3599    3.8061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0760    3.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9276    4.6253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2114    5.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4987    4.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0165    3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2081    5.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9208    6.2753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    5.8657    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6404    5.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3498    6.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3464    7.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6303    7.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9175    7.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1300    7.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6176    6.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1354    6.0294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4377    6.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7702    7.5434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2826    8.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4624    8.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6527    1.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0983    1.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7198    0.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8957    0.5163    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  6  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 12 11  1  1  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  2 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  1  0  0  0  0
  6 20  1  1  0  0  0
 20 21  1  1  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 20  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 25 32  1  0  0  0  0
 31 33  1  6  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 30 36  1  0  0  0  0
 34 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 33 39  1  0  0  0  0
 38 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 37 43  2  0  0  0  0
  4 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
  3 47  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0050873

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1[C@@H]1CO[C@@H]([C@@H]([C@H]2C[C@@H]5N(CCC6=C5NC5=CC=CC=C65)C\C2=C\C)C(=O)OC)N([C@H]31)C1=C4C=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C40H48N4O3/c1-4-23-21-43-17-15-40-30-11-7-9-13-32(30)44-37(40)29(27(23)19-34(40)43)22-47-38(44)35(39(45)46-3)28-18-33-36-26(14-16-42(33)20-24(28)5-2)25-10-6-8-12-31(25)41-36/h5-13,23,27-29,33-35,37-38,41H,4,14-22H2,1-3H3/b24-5-/t23-,27+,28+,29+,33+,34+,35-,37+,38+,40-/m1/s1

> <INCHI_KEY>
ISDWYSGTYITCHG-OCNKQYNFSA-N

> <FORMULA>
C40H48N4O3

> <MOLECULAR_WEIGHT>
632.849

> <EXACT_MASS>
632.372641422

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
95

> <JCHEM_AVERAGE_POLARIZABILITY>
70.99316312487421

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl (2R)-2-[(2R,3E,12bS)-3-ethylidene-1H,2H,3H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-2-yl]-2-[(1R,9S,12S,13S,14S,19S,21S)-14-ethyl-10-oxa-8,16-diazahexacyclo[11.5.2.1^{1,8}.0^{2,7}.0^{16,19}.0^{12,21}]henicosa-2(7),3,5-trien-9-yl]acetate

> <ALOGPS_LOGP>
5.37

> <JCHEM_LOGP>
5.882228286

> <ALOGPS_LOGS>
-4.65

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
10

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.374312108774006

> <JCHEM_PKA_STRONGEST_BASIC>
10.627991029257531

> <JCHEM_POLAR_SURFACE_AREA>
61.040000000000006

> <JCHEM_REFRACTIVITY>
185.8331999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.41e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(R)-(methyl [(2R,3E,12bS)-3-ethylidene-1H,2H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-2-yl][(1R,9S,12S,13S,14S,19S,21S)-14-ethyl-10-oxa-8,16-diazahexacyclo[11.5.2.1^{1,8}.0^{2,7}.0^{16,19}.0^{12,21}]henicosa-2(7),3,5-trien-9-yl]acetate)

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0       4.675   4.022   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.812   2.380   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.440   2.260   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.147   3.628   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       6.042   4.753   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       6.007   6.318   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.671   7.116   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       3.313   6.377   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.222   4.841   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.697   4.066   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.414   3.171   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.345   2.014   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0       2.552   0.762   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       3.867  -0.171   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.156   0.753   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.979   1.185   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.567   2.795   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.929   3.158   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.992   2.043   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.338   7.094   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.675   6.329   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       8.681   4.789   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      10.005   7.105   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      11.342   6.340   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.331   8.634   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.995   9.398   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.664   8.623   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.764   7.373   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.988  10.938   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0       7.319  11.714   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0       8.656  10.949   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       8.662   9.409   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       9.986  11.725   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.980  13.265   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       8.643  14.029   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       7.313  13.254   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      11.443  13.747   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      12.353  12.504   0.000  0.00  0.00           C+0
HETATM   39  N   UNK     0      11.453  11.255   0.000  0.00  0.00           N+0
HETATM   40  C   UNK     0      13.884  12.672   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      14.504  14.081   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      13.594  15.323   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      12.063  15.156   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       8.685   3.700   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       9.517   2.404   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       8.810   1.036   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       7.272   0.964   0.000  0.00  0.00           C+0
CONECT    1    2    5    9                                                  
CONECT    2    1    3   12   15                                             
CONECT    3    2    4   47                                                  
CONECT    4    3    5   44                                                  
CONECT    5    4    1    6                                                  
CONECT    6    5    7   20                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8    1   10                                                  
CONECT   10    9   11   17                                                  
CONECT   11   10   12                                                       
CONECT   12   11    2   13                                                  
CONECT   13   12   14   16                                                  
CONECT   14   13   15                                                       
CONECT   15   14    2                                                       
CONECT   16   13   17                                                       
CONECT   17   16   10   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20    6   21   25                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23                                                            
CONECT   25   20   26   32                                                  
CONECT   26   25   27   29                                                  
CONECT   27   26   28                                                       
CONECT   28   27                                                            
CONECT   29   26   30                                                       
CONECT   30   29   31   36                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31   25                                                       
CONECT   33   31   34   39                                                  
CONECT   34   33   35   37                                                  
CONECT   35   34   36                                                       
CONECT   36   35   30                                                       
CONECT   37   34   38   43                                                  
CONECT   38   37   39   40                                                  
CONECT   39   38   33                                                       
CONECT   40   38   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   37                                                       
CONECT   44    4   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46    3                                                       
MASTER        0    0    0    0    0    0    0    0   47    0  112    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₀H₄₈N₄O₃

Average Mass

632.8490 Da

Monoisotopic Mass

632.37264 Da

IUPAC Name

methyl (2R)-2-[(2R,3E,12bS)-3-ethylidene-1H,2H,3H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-2-yl]-2-[(1R,9S,12S,13S,14S,19S,21S)-14-ethyl-10-oxa-8,16-diazahexacyclo[11.5.2.1^{1,8}.0^{2,7}.0^{16,19}.0^{12,21}]henicosa-2(7),3,5-trien-9-yl]acetate

Traditional Name

(R)-(methyl [(2R,3E,12bS)-3-ethylidene-1H,2H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-2-yl][(1R,9S,12S,13S,14S,19S,21S)-14-ethyl-10-oxa-8,16-diazahexacyclo[11.5.2.1^{1,8}.0^{2,7}.0^{16,19}.0^{12,21}]henicosa-2(7),3,5-trien-9-yl]acetate)

CAS Registry Number

Not Available

SMILES

CC[C@@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1[C@@H]1CO[C@@H]([C@@H]([C@H]2C[C@@H]5N(CCC6=C5NC5=CC=CC=C65)C\C2=C\C)C(=O)OC)N([C@H]31)C1=C4C=CC=C1

InChI Identifier

InChI=1S/C40H48N4O3/c1-4-23-21-43-17-15-40-30-11-7-9-13-32(30)44-37(40)29(27(23)19-34(40)43)22-47-38(44)35(39(45)46-3)28-18-33-36-26(14-16-42(33)20-24(28)5-2)25-10-6-8-12-31(25)41-36/h5-13,23,27-29,33-35,37-38,41H,4,14-22H2,1-3H3/b24-5-/t23-,27+,28+,29+,33+,34+,35-,37+,38+,40-/m1/s1

InChI Key

ISDWYSGTYITCHG-OCNKQYNFSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Apis cerana	LOTUS Database	35616633
Geissospermum laeve	LOTUS Database	35616633
Gelsemium elegans	LOTUS Database	35616633
Gelsemium sempervirens	Plant	KNApSAcK
Mostuea brunonis	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as strychnos alkaloids. These are alkaloids having a core structure based on the strychnan, stemmadenine (seco-curan), or the akuammicine (curan) skeleton.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Strychnos alkaloids

Sub Class

Not Available

Direct Parent

Strychnos alkaloids

Alternative Parents

Substituents

Strychnan skeleton
Corynanthean skeleton
Akuammicine-skeleton
Stemmadenine-skeleton
Beta-carboline
Carbazole
Pyridoindole
Quinolizine
3-alkylindole
Indole
Indole or derivatives
Indolizidine
Dialkylarylamine
Aralkylamine
N-alkylpyrrolidine
Benzenoid
1,3-oxazinane
Piperidine
Oxazinane
Methyl ester
Heteroaromatic compound
Pyrrolidine
Pyrrole
Tertiary aliphatic amine
Tertiary amine
Carboxylic acid ester
Amino acid or derivatives
Azacycle
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Organopnictogen compound
Hydrocarbon derivative
Carbonyl group
Organic oxygen compound
Organic oxide
Amine
Organooxygen compound
Organic nitrogen compound
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

organic heterotetracyclic compound (CHEBI:27776 )
organic heteropentacyclic compound (CHEBI:27776 )
indole alkaloid (CHEBI:27776 )
methyl ester (CHEBI:27776 )

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	5.37	ALOGPS
logP	5.88	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	16.37	ChemAxon
pKa (Strongest Basic)	10.63	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	61.04 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	185.83 m³·mol⁻¹	ChemAxon
Polarizability	70.99 Å³	ChemAxon
Number of Rings	10	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	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

C00001732

Chemspider ID

4444753

KEGG Compound ID

C09200

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5281401

PDB ID

Not Available

ChEBI ID

27776

Good Scents ID

Not Available

References

General References

Mbeunkui F, Grace MH, Lategan C, Smith PJ, Raskin I, Lila MA: In vitro antiplasmodial activity of indole alkaloids from the stem bark of Geissospermum vellosii. J Ethnopharmacol. 2012 Jan 31;139(2):471-7. doi: 10.1016/j.jep.2011.11.036. Epub 2011 Nov 30. [PubMed:22143154 ]
Lima JA, R Costa TW, da Fonseca ACC, do Amaral RF, Nascimento MDDSB, Santos-Filho OA, de Miranda ALP, Ferreira Neto DC, Lima FRS, Hamerski L, Tinoco LW: Geissoschizoline, a promising alkaloid for Alzheimer's disease: Inhibition of human cholinesterases, anti-inflammatory effects and molecular docking. Bioorg Chem. 2020 Nov;104:104215. doi: 10.1016/j.bioorg.2020.104215. Epub 2020 Aug 28. [PubMed:32920358 ]
Fox Ramos AE, Alcover C, Evanno L, Maciuk A, Litaudon M, Duplais C, Bernadat G, Gallard JF, Jullian JC, Mouray E, Grellier P, Loiseau PM, Pomel S, Poupon E, Champy P, Beniddir MA: Revisiting Previously Investigated Plants: A Molecular Networking-Based Study of Geissospermum laeve. J Nat Prod. 2017 Apr 28;80(4):1007-1014. doi: 10.1021/acs.jnatprod.6b01013. Epub 2017 Mar 10. [PubMed:28282127 ]
Araujo JQ, Lima JA, Pinto Ada C, de Alencastro RB, Albuquerque MG: Docking of the alkaloid geissospermine into acetylcholinesterase: a natural scaffold targeting the treatment of Alzheimer's disease. J Mol Model. 2011 Jun;17(6):1401-12. doi: 10.1007/s00894-010-0841-2. Epub 2010 Sep 16. [PubMed:20844909 ]
Lima JA, Costa RS, Epifanio RA, Castro NG, Rocha MS, Pinto AC: Geissospermum vellosii stembark: anticholinesterase activity and improvement of scopolamine-induced memory deficits. Pharmacol Biochem Behav. 2009 May;92(3):508-13. doi: 10.1016/j.pbb.2009.01.024. Epub 2009 Feb 5. [PubMed:19463267 ]

Showing NP-Card for Gelsemicine (NP0050873)

MOL for NP0050873 (Gelsemicine)

3D MOL for NP0050873 (Gelsemicine)

3D SDF for NP0050873 (Gelsemicine)

3D-SDF for NP0050873 (Gelsemicine)

PDB for NP0050873 (Gelsemicine)

3D PDB for NP0050873 (Gelsemicine)

SMILES for NP0050873 (Gelsemicine)

INCHI for NP0050873 (Gelsemicine)

Structure for NP0050873 (Gelsemicine)

3D Structure for NP0050873 (Gelsemicine)