NP-MRD: Showing NP-Card for Delphinine (NP0050784)

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Record Information

Version

2.0

Created at

2022-04-27 22:06:47 UTC

Updated at

2022-04-27 22:06:47 UTC

NP-MRD ID

NP0050784

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Delphinine

Description

(1S,2R,3R,4R,5S,6S,8S,9R,10R,13S,16S,17R,18S)-8-(acetyloxy)-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]Nonadecan-4-yl benzoate belongs to the class of organic compounds known as aconitane-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hexacyclic aconitane skeleton. These compounds have no oxygen functionality at the C7 atom. Delphinine is found in Atragene sibirica, Clematis sibirica, Consolida hellespontica, Delphinium ajacis, Delphinium elatum, Delphinium stapeliosum , Delphinium staphisagra and Delphinium staphisagria . Based on a literature review very few articles have been published on (1S,2R,3R,4R,5S,6S,8S,9R,10R,13S,16S,17R,18S)-8-(acetyloxy)-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]Nonadecan-4-yl benzoate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652304282200062D          

 43 49  0  0  1  0            999 V2000
   -1.5246   -1.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138   -1.7742    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2009   -1.7085    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8077   -1.4449    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4745   -0.5800    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3558   -0.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9140   -0.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2283    0.2739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0783    1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4476   -0.7834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0963   -1.1216    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3031   -1.9438    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5610   -2.4846    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5081   -2.5591    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1372   -3.4410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9146   -3.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9650   -2.4748    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1926   -3.0339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5578   -2.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7515   -3.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1388   -1.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372   -1.1688    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9980   -0.4617    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5019   -0.2213    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6956    0.6451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1936    1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125    1.2057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8712    2.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523    2.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7299    2.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2263    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0452    3.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3676    2.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9961   -0.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7276    0.0820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4441   -1.1329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0721   -1.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5944   -2.8368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2283   -3.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144   -3.1633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0523   -4.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3233   -1.3646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0249   -1.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  6  0  0  0
  8  9  1  0  0  0  0
  4 10  1  1  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
  3 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  1  0  0  0  0
  2 19  1  0  0  0  0
 18 20  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 11 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 28 33  1  0  0  0  0
 23 34  1  0  0  0  0
 10 34  1  6  0  0  0
 23 35  1  6  0  0  0
 22 36  1  1  0  0  0
 36 37  1  0  0  0  0
 12 38  1  6  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
  1 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END


  Mrv1652304282200062D          

 43 49  0  0  1  0            999 V2000
   -1.5246   -1.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138   -1.7742    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2009   -1.7085    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8077   -1.4449    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4745   -0.5800    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3558   -0.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9140   -0.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2283    0.2739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0783    1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4476   -0.7834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0963   -1.1216    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3031   -1.9438    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5610   -2.4846    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5081   -2.5591    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1372   -3.4410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9146   -3.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9650   -2.4748    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1926   -3.0339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5578   -2.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7515   -3.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1388   -1.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372   -1.1688    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9980   -0.4617    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5019   -0.2213    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6956    0.6451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1936    1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125    1.2057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8712    2.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523    2.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7299    2.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2263    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0452    3.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3676    2.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9961   -0.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7276    0.0820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4441   -1.1329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0721   -1.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5944   -2.8368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2283   -3.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144   -3.1633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0523   -4.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3233   -1.3646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0249   -1.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  6  0  0  0
  8  9  1  0  0  0  0
  4 10  1  1  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
  3 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  1  0  0  0  0
  2 19  1  0  0  0  0
 18 20  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 11 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 28 33  1  0  0  0  0
 23 34  1  0  0  0  0
 10 34  1  6  0  0  0
 23 35  1  6  0  0  0
 22 36  1  1  0  0  0
 36 37  1  0  0  0  0
 12 38  1  6  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
  1 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0050784

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)C7=CC=CC=C7)[C@@H]5[C@](C[C@@H]6OC)(OC(C)=O)[C@@H]([C@@H](OC)[C@H]13)[C@H]4N(C)C2

> <INCHI_IDENTIFIER>
InChI=1S/C33H45NO9/c1-18(35)43-32-15-22(40-5)31(37)14-20(23(32)28(31)42-29(36)19-10-8-7-9-11-19)33-21(39-4)12-13-30(17-38-3)16-34(2)27(33)24(32)25(41-6)26(30)33/h7-11,20-28,37H,12-17H2,1-6H3/t20-,21+,22+,23-,24+,25-,26-,27-,28-,30+,31+,32+,33+/m1/s1

> <INCHI_KEY>
REVYTWNGZDPRKE-XWHMTQBKSA-N

> <FORMULA>
C33H45NO9

> <MOLECULAR_WEIGHT>
599.721

> <EXACT_MASS>
599.309432033

$$$$

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      -2.846  -3.349   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.146  -3.312   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.375  -3.189   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.508  -2.697   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.886  -1.083   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.664  -0.649   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.706  -1.817   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       0.426   0.511   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       0.146   2.119   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.702  -1.462   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.913  -2.094   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.299  -3.628   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.914  -4.638   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.949  -4.777   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -0.256  -6.423   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -1.707  -7.229   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.801  -4.620   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       0.360  -5.663   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      -1.041  -4.893   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.403  -7.009   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.859  -3.569   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.603  -2.182   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.596  -0.862   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.670  -0.413   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       5.032   1.204   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       5.961   2.438   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       7.490   2.251   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       5.360   3.856   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       3.831   4.043   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.229   5.461   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.156   6.691   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.684   6.503   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.286   5.086   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       3.726  -0.065   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       6.958   0.153   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       8.296  -2.115   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       9.468  -3.199   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       4.843  -5.295   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       6.026  -6.373   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       7.493  -5.905   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       5.698  -7.877   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      -4.337  -2.547   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      -5.647  -3.357   0.000  0.00  0.00           C+0
CONECT    1    2   42                                                       
CONECT    2    1    3    7   19                                             
CONECT    3    2    4   14                                                  
CONECT    4    3    5   10   17                                             
CONECT    5    4    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6    2                                                       
CONECT    8    5    9                                                       
CONECT    9    8                                                            
CONECT   10    4   11   34                                                  
CONECT   11   10   12   24                                                  
CONECT   12   11   13   21   38                                             
CONECT   13   12   14   17                                                  
CONECT   14   13    3   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17   13    4   18                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18    2                                                       
CONECT   20   18                                                            
CONECT   21   12   22                                                       
CONECT   22   21   23   36                                                  
CONECT   23   22   24   34   35                                             
CONECT   24   23   11   25                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   33                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   28                                                       
CONECT   34   23   10                                                       
CONECT   35   23                                                            
CONECT   36   22   37                                                       
CONECT   37   36                                                            
CONECT   38   12   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39                                                            
CONECT   42    1   43                                                       
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   98    0
END

View in JSmol

Synonyms

Value	Source
(1S,2R,3R,4R,5S,6S,8S,9R,10R,13S,16S,17R,18S)-8-(Acetyloxy)-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.1,.0,.0,.0,]nonadecan-4-yl benzoic acid	Generator

Chemical Formula

C₃₃H₄₅NO₉

Average Mass

599.7210 Da

Monoisotopic Mass

599.30943 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)C7=CC=CC=C7)[C@@H]5[C@](C[C@@H]6OC)(OC(C)=O)[C@@H]([C@@H](OC)[C@H]13)[C@H]4N(C)C2

InChI Identifier

InChI=1S/C33H45NO9/c1-18(35)43-32-15-22(40-5)31(37)14-20(23(32)28(31)42-29(36)19-10-8-7-9-11-19)33-21(39-4)12-13-30(17-38-3)16-34(2)27(33)24(32)25(41-6)26(30)33/h7-11,20-28,37H,12-17H2,1-6H3/t20-,21+,22+,23-,24+,25-,26-,27-,28-,30+,31+,32+,33+/m1/s1

InChI Key

REVYTWNGZDPRKE-XWHMTQBKSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Atragene sibirica	Plant	KNApSAcK
Clematis sibirica	LOTUS Database	35616633
Consolida hellespontica	LOTUS Database	35616633
Delphinium ajacis L.	Plant	KNApSAcK
Delphinium elatum	Plant	KNApSAcK
Delphinium stapeliosum	Plant	KNApSAcK
Delphinium staphisagra	Plant	KNApSAcK
Staphisagria macrosperma	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aconitane-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hexacyclic aconitane skeleton. These compounds have no oxygen functionality at the C7 atom.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Aconitane-type diterpenoid alkaloids

Alternative Parents

Substituents

Aconitane-type diterpenoid alkaloid
Quinolidine
Benzoate ester
Alkaloid or derivatives
Benzoic acid or derivatives
Benzoyl
Azepane
Benzenoid
Piperidine
Dicarboxylic acid or derivatives
Monocyclic benzene moiety
Tertiary alcohol
Cyclic alcohol
Tertiary aliphatic amine
Tertiary amine
Carboxylic acid ester
Amino acid or derivatives
Azacycle
Organoheterocyclic compound
Ether
Dialkyl ether
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Amine
Alcohol
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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

163071029

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Delphinine (NP0050784)

MOL for NP0050784 (Delphinine)

3D MOL for NP0050784 (Delphinine)

3D SDF for NP0050784 (Delphinine)

3D-SDF for NP0050784 (Delphinine)

PDB for NP0050784 (Delphinine)

3D PDB for NP0050784 (Delphinine)

SMILES for NP0050784 (Delphinine)

INCHI for NP0050784 (Delphinine)

Structure for NP0050784 (Delphinine)

3D Structure for NP0050784 (Delphinine)