NP-MRD: Showing NP-Card for erysovine (NP0040432)

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Record Information

Version

2.0

Created at

2021-06-20 22:35:56 UTC

Updated at

2021-06-30 00:14:20 UTC

NP-MRD ID

NP0040432

Secondary Accession Numbers

None

Natural Product Identification

Common Name

erysovine

Provided By

JEOL Database JEOL Logo

Description

Erysovine belongs to the class of organic compounds known as erythrinanes. These are erythrina alkaloids possessing either a 6-5-6-6-membered indoloisoquinoline core or a derivative thereof. erysovine is found in Erythrina americana, Erythrina berteroana, Erythrina cochleata, Erythrina crista-galli, Erythrina edulis, Erythrina fusca, Erythrina latissima, Erythrina melanacantha, Erythrina speciosa, Erythrina stricta, Erythrina variegata and Erythrina velutina. erysovine was first documented in 2005 (PMID: 16223085). Based on a literature review a small amount of articles have been published on Erysovine (PMID: 30602319) (PMID: 28799721) (PMID: 22474945) (PMID: 19387573).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306212100353D          

 43 46  0  0  0  0            999 V2000
    1.8142    2.0664   -5.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1878    2.6444   -4.1748 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9101    1.9117   -3.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3165    0.6552   -3.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0807    0.0104   -1.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4463    0.6225   -0.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0688    1.8817   -0.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837    2.5062   -1.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8828    3.7377   -1.8454 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1606   -0.0634    0.8107 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0069    0.6137    1.5812 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4283    1.9320    2.2612 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4924    2.2680    3.3084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6999    2.8425    2.8280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7924    1.8613    2.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6899    0.8959    2.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3808   -0.1445    1.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9745   -1.3385    1.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1634   -2.2161    0.7114 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8669   -1.5211    0.6607 N   0  0  2  0  0  0  0  0  0  0  0  0
    0.0018   -1.8572   -0.4534 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5145   -1.3871   -1.8086 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0894    2.7710   -6.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3587    1.1337   -5.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7316    1.9108   -5.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0322    0.1386   -3.9191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    2.3998    0.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9520    3.9841   -2.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8489    0.7964    0.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3749   -0.0622    2.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4456    2.7538    1.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3193    3.1046    3.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4940    3.7551    2.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2547    2.1304    2.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0360    2.6425    3.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383    0.8670    3.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8384   -1.6732    2.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0359   -3.2106    1.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6582   -2.3101   -0.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1749   -2.9393   -0.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9844   -1.4096   -0.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3099   -1.4340   -2.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3009   -2.0645   -2.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 15  1  0  0  0  0
  6  5  2  0  0  0  0
 15 16  2  0  0  0  0
  5  4  1  0  0  0  0
 16 17  1  0  0  0  0
  4  3  2  0  0  0  0
  3  8  1  0  0  0  0
 10 11  1  1  0  0  0
  8  7  2  0  0  0  0
  7  6  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  2  0  0  0  0
 20 19  1  0  0  0  0
  5 22  1  0  0  0  0
 18 19  1  0  0  0  0
 10  6  1  0  0  0  0
  3  2  1  0  0  0  0
 10 20  1  0  0  0  0
  8  9  1  0  0  0  0
 20 21  1  0  0  0  0
  2  1  1  0  0  0  0
 21 22  1  0  0  0  0
 12 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  6  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
  4 26  1  0  0  0  0
  7 27  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
  9 28  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
M  END

     RDKit          3D

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.8142    2.0664   -5.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1878    2.6444   -4.1748 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9101    1.9117   -3.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3165    0.6552   -3.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0807    0.0104   -1.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4463    0.6225   -0.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0688    1.8817   -0.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837    2.5062   -1.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8828    3.7377   -1.8454 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1606   -0.0634    0.8107 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0069    0.6137    1.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4283    1.9320    2.2612 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4924    2.2680    3.3084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6999    2.8425    2.8280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7924    1.8613    2.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6899    0.8959    2.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3808   -0.1445    1.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9745   -1.3385    1.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1634   -2.2161    0.7114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8669   -1.5211    0.6607 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018   -1.8572   -0.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5145   -1.3871   -1.8086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0894    2.7710   -6.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3587    1.1337   -5.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7316    1.9108   -5.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0322    0.1386   -3.9191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    2.3998    0.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9520    3.9841   -2.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8489    0.7964    0.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3749   -0.0622    2.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4456    2.7538    1.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3193    3.1046    3.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4940    3.7551    2.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2547    2.1304    2.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0360    2.6425    3.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383    0.8670    3.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8384   -1.6732    2.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0359   -3.2106    1.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6582   -2.3101   -0.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1749   -2.9393   -0.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9844   -1.4096   -0.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3099   -1.4340   -2.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3009   -2.0645   -2.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 15  1  0
  6  5  2  0
 15 16  2  0
  5  4  1  0
 16 17  1  0
  4  3  2  0
  3  8  1  0
 10 11  1  1
  8  7  2  0
  7  6  1  0
 10 17  1  0
 17 18  2  0
 20 19  1  0
  5 22  1  0
 18 19  1  0
 10  6  1  0
  3  2  1  0
 10 20  1  0
  8  9  1  0
 20 21  1  0
  2  1  1  0
 21 22  1  0
 12 13  1  0
 11 12  1  0
 13 14  1  0
 11 29  1  0
 11 30  1  0
 12 31  1  6
 15 35  1  0
 16 36  1  0
 21 40  1  0
 21 41  1  0
 22 42  1  0
 22 43  1  0
  4 26  1  0
  7 27  1  0
 18 37  1  0
 19 38  1  0
 19 39  1  0
  9 28  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
 14 32  1  0
 14 33  1  0
 14 34  1  0
M  END


  Mrv1652306212100353D          

 43 46  0  0  0  0            999 V2000
    1.8142    2.0664   -5.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1878    2.6444   -4.1748 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9101    1.9117   -3.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3165    0.6552   -3.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0807    0.0104   -1.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4463    0.6225   -0.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0688    1.8817   -0.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837    2.5062   -1.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8828    3.7377   -1.8454 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1606   -0.0634    0.8107 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0069    0.6137    1.5812 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4283    1.9320    2.2612 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4924    2.2680    3.3084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6999    2.8425    2.8280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7924    1.8613    2.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6899    0.8959    2.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3808   -0.1445    1.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9745   -1.3385    1.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1634   -2.2161    0.7114 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8669   -1.5211    0.6607 N   0  0  2  0  0  0  0  0  0  0  0  0
    0.0018   -1.8572   -0.4534 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5145   -1.3871   -1.8086 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0894    2.7710   -6.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3587    1.1337   -5.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7316    1.9108   -5.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0322    0.1386   -3.9191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    2.3998    0.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9520    3.9841   -2.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8489    0.7964    0.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3749   -0.0622    2.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4456    2.7538    1.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3193    3.1046    3.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4940    3.7551    2.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2547    2.1304    2.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0360    2.6425    3.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383    0.8670    3.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8384   -1.6732    2.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0359   -3.2106    1.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6582   -2.3101   -0.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1749   -2.9393   -0.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9844   -1.4096   -0.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3099   -1.4340   -2.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3009   -2.0645   -2.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 15  1  0  0  0  0
  6  5  2  0  0  0  0
 15 16  2  0  0  0  0
  5  4  1  0  0  0  0
 16 17  1  0  0  0  0
  4  3  2  0  0  0  0
  3  8  1  0  0  0  0
 10 11  1  1  0  0  0
  8  7  2  0  0  0  0
  7  6  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  2  0  0  0  0
 20 19  1  0  0  0  0
  5 22  1  0  0  0  0
 18 19  1  0  0  0  0
 10  6  1  0  0  0  0
  3  2  1  0  0  0  0
 10 20  1  0  0  0  0
  8  9  1  0  0  0  0
 20 21  1  0  0  0  0
  2  1  1  0  0  0  0
 21 22  1  0  0  0  0
 12 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  6  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
  4 26  1  0  0  0  0
  7 27  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
  9 28  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0040432

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C([H])C2=C(C([H])=C1OC([H])([H])[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])=C3C([H])=C([H])[C@]([H])(OC([H])([H])[H])C([H])([H])[C@]213

> <INCHI_IDENTIFIER>
InChI=1S/C18H21NO3/c1-21-14-4-3-13-6-8-19-7-5-12-9-17(22-2)16(20)10-15(12)18(13,19)11-14/h3-4,6,9-10,14,20H,5,7-8,11H2,1-2H3/t14-,18-/m0/s1

> <INCHI_KEY>
IHPMURIXWRKEKD-KSSFIOAISA-N

> <FORMULA>
C18H21NO3

> <MOLECULAR_WEIGHT>
299.37

> <EXACT_MASS>
299.15214354

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
32.951595734368084

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,16R)-5,16-dimethoxy-10-azatetracyclo[8.7.0.0^{1,13}.0^{2,7}]heptadeca-2(7),3,5,12,14-pentaen-4-ol

> <ALOGPS_LOGP>
2.23

> <JCHEM_LOGP>
1.672010453128769

> <ALOGPS_LOGS>
-2.65

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.131983462075725

> <JCHEM_PKA_STRONGEST_BASIC>
8.725041307639142

> <JCHEM_POLAR_SURFACE_AREA>
41.93

> <JCHEM_REFRACTIVITY>
87.95689999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.70e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,16R)-5,16-dimethoxy-10-azatetracyclo[8.7.0.0^{1,13}.0^{2,7}]heptadeca-2(7),3,5,12,14-pentaen-4-ol

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.8142    2.0664   -5.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1878    2.6444   -4.1748 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9101    1.9117   -3.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3165    0.6552   -3.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0807    0.0104   -1.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4463    0.6225   -0.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0688    1.8817   -0.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837    2.5062   -1.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8828    3.7377   -1.8454 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1606   -0.0634    0.8107 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0069    0.6137    1.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4283    1.9320    2.2612 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4924    2.2680    3.3084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6999    2.8425    2.8280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7924    1.8613    2.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6899    0.8959    2.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3808   -0.1445    1.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9745   -1.3385    1.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1634   -2.2161    0.7114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8669   -1.5211    0.6607 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018   -1.8572   -0.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5145   -1.3871   -1.8086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0894    2.7710   -6.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3587    1.1337   -5.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7316    1.9108   -5.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0322    0.1386   -3.9191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    2.3998    0.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9520    3.9841   -2.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8489    0.7964    0.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3749   -0.0622    2.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4456    2.7538    1.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3193    3.1046    3.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4940    3.7551    2.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2547    2.1304    2.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0360    2.6425    3.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383    0.8670    3.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8384   -1.6732    2.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0359   -3.2106    1.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6582   -2.3101   -0.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1749   -2.9393   -0.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9844   -1.4096   -0.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3099   -1.4340   -2.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3009   -2.0645   -2.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 15  1  0
  6  5  2  0
 15 16  2  0
  5  4  1  0
 16 17  1  0
  4  3  2  0
  3  8  1  0
 10 11  1  1
  8  7  2  0
  7  6  1  0
 10 17  1  0
 17 18  2  0
 20 19  1  0
  5 22  1  0
 18 19  1  0
 10  6  1  0
  3  2  1  0
 10 20  1  0
  8  9  1  0
 20 21  1  0
  2  1  1  0
 21 22  1  0
 12 13  1  0
 11 12  1  0
 13 14  1  0
 11 29  1  0
 11 30  1  0
 12 31  1  6
 15 35  1  0
 16 36  1  0
 21 40  1  0
 21 41  1  0
 22 42  1  0
 22 43  1  0
  4 26  1  0
  7 27  1  0
 18 37  1  0
 19 38  1  0
 19 39  1  0
  9 28  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
 14 32  1  0
 14 33  1  0
 14 34  1  0
M  END

HEADER    PROTEIN                                 21-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   21-JUN-21         0                                  
HETATM    1  C   UNK     0       1.814   2.066  -5.420  0.00  0.00           C+0
HETATM    2  O   UNK     0       2.188   2.644  -4.175  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.910   1.912  -3.051  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.317   0.655  -3.008  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.081   0.010  -1.773  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.446   0.623  -0.550  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.069   1.882  -0.622  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.284   2.506  -1.848  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.883   3.738  -1.845  0.00  0.00           O+0
HETATM   10  C   UNK     0       1.161  -0.063   0.811  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.007   0.614   1.581  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.428   1.932   2.261  0.00  0.00           C+0
HETATM   13  O   UNK     0      -0.492   2.268   3.308  0.00  0.00           O+0
HETATM   14  C   UNK     0      -1.700   2.842   2.828  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.792   1.861   2.904  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.690   0.896   2.650  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.381  -0.145   1.711  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.974  -1.339   1.606  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.163  -2.216   0.711  0.00  0.00           C+0
HETATM   20  N   UNK     0       0.867  -1.521   0.661  0.00  0.00           N+0
HETATM   21  C   UNK     0       0.002  -1.857  -0.453  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.515  -1.387  -1.809  0.00  0.00           C+0
HETATM   23  H   UNK     0       2.089   2.771  -6.211  0.00  0.00           H+0
HETATM   24  H   UNK     0       2.359   1.134  -5.601  0.00  0.00           H+0
HETATM   25  H   UNK     0       0.732   1.911  -5.475  0.00  0.00           H+0
HETATM   26  H   UNK     0       1.032   0.139  -3.919  0.00  0.00           H+0
HETATM   27  H   UNK     0       2.413   2.400   0.267  0.00  0.00           H+0
HETATM   28  H   UNK     0       2.952   3.984  -2.788  0.00  0.00           H+0
HETATM   29  H   UNK     0      -0.849   0.796   0.918  0.00  0.00           H+0
HETATM   30  H   UNK     0      -0.375  -0.062   2.362  0.00  0.00           H+0
HETATM   31  H   UNK     0       0.446   2.754   1.536  0.00  0.00           H+0
HETATM   32  H   UNK     0      -2.319   3.105   3.690  0.00  0.00           H+0
HETATM   33  H   UNK     0      -1.494   3.755   2.260  0.00  0.00           H+0
HETATM   34  H   UNK     0      -2.255   2.130   2.211  0.00  0.00           H+0
HETATM   35  H   UNK     0       2.036   2.643   3.619  0.00  0.00           H+0
HETATM   36  H   UNK     0       3.638   0.867   3.178  0.00  0.00           H+0
HETATM   37  H   UNK     0       3.838  -1.673   2.159  0.00  0.00           H+0
HETATM   38  H   UNK     0       2.036  -3.211   1.149  0.00  0.00           H+0
HETATM   39  H   UNK     0       2.658  -2.310  -0.261  0.00  0.00           H+0
HETATM   40  H   UNK     0      -0.175  -2.939  -0.482  0.00  0.00           H+0
HETATM   41  H   UNK     0      -0.984  -1.410  -0.273  0.00  0.00           H+0
HETATM   42  H   UNK     0      -0.310  -1.434  -2.531  0.00  0.00           H+0
HETATM   43  H   UNK     0       1.301  -2.064  -2.164  0.00  0.00           H+0
CONECT    1    2   23   24   25                                             
CONECT    2    3    1                                                       
CONECT    3    4    8    2                                                  
CONECT    4    5    3   26                                                  
CONECT    5    6    4   22                                                  
CONECT    6    5    7   10                                                  
CONECT    7    8    6   27                                                  
CONECT    8    3    7    9                                                  
CONECT    9    8   28                                                       
CONECT   10   11   17    6   20                                             
CONECT   11   10   12   29   30                                             
CONECT   12   15   13   11   31                                             
CONECT   13   12   14                                                       
CONECT   14   13   32   33   34                                             
CONECT   15   12   16   35                                                  
CONECT   16   15   17   36                                                  
CONECT   17   16   10   18                                                  
CONECT   18   17   19   37                                                  
CONECT   19   20   18   38   39                                             
CONECT   20   19   10   21                                                  
CONECT   21   20   22   40   41                                             
CONECT   22    5   21   42   43                                             
CONECT   23    1                                                            
CONECT   24    1                                                            
CONECT   25    1                                                            
CONECT   26    4                                                            
CONECT   27    7                                                            
CONECT   28    9                                                            
CONECT   29   11                                                            
CONECT   30   11                                                            
CONECT   31   12                                                            
CONECT   32   14                                                            
CONECT   33   14                                                            
CONECT   34   14                                                            
CONECT   35   15                                                            
CONECT   36   16                                                            
CONECT   37   18                                                            
CONECT   38   19                                                            
CONECT   39   19                                                            
CONECT   40   21                                                            
CONECT   41   21                                                            
CONECT   42   22                                                            
CONECT   43   22                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   92    0
END

RDKit          3D

43 46  0  0  0  0  0  0  0  0999 V2000
    1.8142    2.0664   -5.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1878    2.6444   -4.1748 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9101    1.9117   -3.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3165    0.6552   -3.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0807    0.0104   -1.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4463    0.6225   -0.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0688    1.8817   -0.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837    2.5062   -1.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8828    3.7377   -1.8454 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1606   -0.0634    0.8107 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0069    0.6137    1.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4283    1.9320    2.2612 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4924    2.2680    3.3084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6999    2.8425    2.8280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7924    1.8613    2.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6899    0.8959    2.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3808   -0.1445    1.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9745   -1.3385    1.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1634   -2.2161    0.7114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8669   -1.5211    0.6607 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018   -1.8572   -0.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5145   -1.3871   -1.8086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0894    2.7710   -6.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3587    1.1337   -5.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7316    1.9108   -5.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0322    0.1386   -3.9191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    2.3998    0.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9520    3.9841   -2.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8489    0.7964    0.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3749   -0.0622    2.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4456    2.7538    1.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3193    3.1046    3.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4940    3.7551    2.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2547    2.1304    2.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0360    2.6425    3.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383    0.8670    3.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8384   -1.6732    2.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0359   -3.2106    1.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6582   -2.3101   -0.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1749   -2.9393   -0.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9844   -1.4096   -0.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3099   -1.4340   -2.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3009   -2.0645   -2.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 15  1  0
  6  5  2  0
 15 16  2  0
  5  4  1  0
 16 17  1  0
  4  3  2  0
  3  8  1  0
 10 11  1  1
  8  7  2  0
  7  6  1  0
 10 17  1  0
 17 18  2  0
 20 19  1  0
  5 22  1  0
 18 19  1  0
 10  6  1  0
  3  2  1  0
 10 20  1  0
  8  9  1  0
 20 21  1  0
  2  1  1  0
 21 22  1  0
 12 13  1  0
 11 12  1  0
 13 14  1  0
 11 29  1  0
 11 30  1  0
 12 31  1  6
 15 35  1  0
 16 36  1  0
 21 40  1  0
 21 41  1  0
 22 42  1  0
 22 43  1  0
  4 26  1  0
  7 27  1  0
 18 37  1  0
 19 38  1  0
 19 39  1  0
  9 28  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
 14 32  1  0
 14 33  1  0
 14 34  1  0
M  END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₂₁NO₃

Average Mass

299.3700 Da

Monoisotopic Mass

299.15214 Da

IUPAC Name

(1S,16R)-5,16-dimethoxy-10-azatetracyclo[8.7.0.0^{1,13}.0^{2,7}]heptadeca-2(7),3,5,12,14-pentaen-4-ol

Traditional Name

(1S,16R)-5,16-dimethoxy-10-azatetracyclo[8.7.0.0^{1,13}.0^{2,7}]heptadeca-2(7),3,5,12,14-pentaen-4-ol

CAS Registry Number

Not Available

SMILES

[H]OC1=C([H])C2=C(C([H])=C1OC([H])([H])[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])=C3C([H])=C([H])[C@]([H])(OC([H])([H])[H])C([H])([H])[C@]213

InChI Identifier

InChI=1S/C18H21NO3/c1-21-14-4-3-13-6-8-19-7-5-12-9-17(22-2)16(20)10-15(12)18(13,19)11-14/h3-4,6,9-10,14,20H,5,7-8,11H2,1-2H3/t14-,18-/m0/s1

InChI Key

IHPMURIXWRKEKD-KSSFIOAISA-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
Erythrina americana	LOTUS Database	35616633
Erythrina berteroana	LOTUS Database	35616633
Erythrina cochleata	LOTUS Database	35616633
Erythrina crista-galli	LOTUS Database	35616633
Erythrina edulis	LOTUS Database	35616633
Erythrina fusca	LOTUS Database	35616633
Erythrina latissima	Plant	KNApSAcK
Erythrina melanacantha	LOTUS Database	35616633
Erythrina speciosa	LOTUS Database	35616633
Erythrina stricta	LOTUS Database	35616633
Erythrina variegata	LOTUS Database	35616633
Erythrina velutina	JEOL database	Ozawa, M., et al., Chem. Pharm. Bull., 59, 564 (2011)

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as erythrinanes. These are erythrina alkaloids possessing either a 6-5-6-6-membered indoloisoquinoline core or a derivative thereof.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Erythrina alkaloids

Sub Class

Erythrinanes

Direct Parent

Erythrinanes

Alternative Parents

Substituents

Erythrinane skeleton
Tetrahydroisoquinoline
Indole or derivatives
Anisole
Phenol ether
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Aralkylamine
Phenol
Benzenoid
Pyrroline
Tertiary aliphatic amine
Tertiary amine
Organoheterocyclic compound
Azacycle
Ether
Dialkyl ether
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organic oxygen 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	2.23	ALOGPS
logP	1.67	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	10.13	ChemAxon
pKa (Strongest Basic)	8.73	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	41.93 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	87.96 m³·mol⁻¹	ChemAxon
Polarizability	32.95 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

Not Available

Chemspider ID

4476104

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5317203

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Zarev Y, Foubert K, Cos P, Maes L, Elgorashi E, Apers S, Ionkova I, Pieters L: HPLC-DAD-SPE-NMR isolation of tetracyclic spiro-alkaloids with antiplasmodial activity from the seeds of Erythrina latissima. Nat Prod Res. 2020 Apr;34(7):1037-1040. doi: 10.1080/14786419.2018.1539976. Epub 2019 Jan 3. [PubMed:30602319 ]
Wang D, Xie N, Yi S, Liu C, Jiang H, Ma Z, Feng J, Yan H, Zhang X: Bioassay-guided isolation of potent aphicidal Erythrina alkaloids against Aphis gossypii from the seed of Erythrina crista-galli L. Pest Manag Sci. 2018 Jan;74(1):210-218. doi: 10.1002/ps.4698. Epub 2017 Sep 27. [PubMed:28799721 ]
Liu ZL, Chu SS, Jiang GH, Liu SL: Antifeedants from Chinese medicinal herb, Erythrina variegata var. orientalis, against maize weevil Sitophilus zeamais. Nat Prod Commun. 2012 Feb;7(2):171-2. [PubMed:22474945 ]
Cui L, Thuong PT, Fomum ZT, Oh WK: A new Erythrinan alkaloid from the seed of Erythrina addisoniae. Arch Pharm Res. 2009 Mar;32(3):325-8. doi: 10.1007/s12272-009-1302-2. Epub 2009 Apr 23. [PubMed:19387573 ]
Garin-Aguilar ME, Valencia del Toro G, Soto-Hernandez M, Kite G: High-performance liquid chromatography-mass spectrometric analysis of alkaloids extracted from seeds of Erythrina herbacea. Phytochem Anal. 2005 Sep-Oct;16(5):302-6. doi: 10.1002/pca.821. [PubMed:16223085 ]
Ozawa, M., et al. (2011). Ozawa, M., et al., Chem. Pharm. Bull., 59, 564 (2011). Chem. Pharm. Bull..

Showing NP-Card for erysovine (NP0040432)

MOL for NP0040432 (erysovine)

3D MOL for NP0040432 (erysovine)

3D SDF for NP0040432 (erysovine)

3D-SDF for NP0040432 (erysovine)

PDB for NP0040432 (erysovine)

3D PDB for NP0040432 (erysovine)

SMILES for NP0040432 (erysovine)

INCHI for NP0040432 (erysovine)

Structure for NP0040432 (erysovine)

3D Structure for NP0040432 (erysovine)