NP-MRD: Showing NP-Card for (+)-Liaconitine C (NP0077668)

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Record Information

Version

2.0

Created at

2022-04-28 22:47:41 UTC

Updated at

2022-04-28 22:47:41 UTC

NP-MRD ID

NP0077668

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(+)-Liaconitine C

Description

(1S,2R,3R,4R,5S,6S,8S,9R,10R,13R,16S,17R,18S)-8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]Nonadec-14-en-4-yl 4-methoxybenzoate 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. (+)-Liaconitine C is found in Aconitum episcopale and Aconitum sp.. Based on a literature review very few articles have been published on (1S,2R,3R,4R,5S,6S,8S,9R,10R,13R,16S,17R,18S)-8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]Nonadec-14-en-4-yl 4-methoxybenzoate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652304292200472D          

 45 51  0  0  1  0            999 V2000
    0.6564   -1.0270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0108   -1.0264    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6275   -1.5697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3448   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2638    0.3484    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3864    0.3404    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2884   -0.6284    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2860   -1.1229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1869   -1.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0942   -0.0351    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8888    0.5185    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5896    1.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5341    0.6359    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9425   -0.1538    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4107   -0.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483   -0.7502    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4822    0.0658    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0347    0.8560    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9938    1.7301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4614    2.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2850    2.3929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0913    3.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2677    3.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8975    3.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3509    4.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1745    4.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5447    3.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9808    5.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4342    6.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7205   -1.6391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894   -2.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2326   -3.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8471   -0.2812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4552   -0.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2940    1.1233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7844   -0.4896    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6710    0.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8572   -0.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0820   -1.5475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3178   -2.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1791    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6109    2.0354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1979    2.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9361   -2.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6526   -3.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  2  3  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  1  7  1  0  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
 10  6  1  1  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  6  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 16 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 14 33  1  1  0  0  0
 33 34  1  0  0  0  0
 13 35  1  6  0  0  0
 10 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
  5 38  1  0  0  0  0
 36 39  1  1  0  0  0
 39 40  1  0  0  0  0
  5 41  1  6  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
  3 44  1  0  0  0  0
 44 45  1  0  0  0  0
M  END


  Mrv1652304292200472D          

 45 51  0  0  1  0            999 V2000
    0.6564   -1.0270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0108   -1.0264    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6275   -1.5697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3448   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2638    0.3484    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3864    0.3404    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2884   -0.6284    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2860   -1.1229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1869   -1.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0942   -0.0351    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8888    0.5185    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5896    1.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5341    0.6359    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9425   -0.1538    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4107   -0.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483   -0.7502    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4822    0.0658    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0347    0.8560    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9938    1.7301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4614    2.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2850    2.3929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0913    3.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2677    3.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8975    3.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3509    4.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1745    4.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5447    3.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9808    5.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4342    6.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7205   -1.6391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894   -2.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2326   -3.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8471   -0.2812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4552   -0.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2940    1.1233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7844   -0.4896    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6710    0.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8572   -0.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0820   -1.5475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3178   -2.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1791    1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6109    2.0354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1979    2.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9361   -2.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6526   -3.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  2  3  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  1  7  1  0  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
 10  6  1  1  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  6  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 16 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 14 33  1  1  0  0  0
 33 34  1  0  0  0  0
 13 35  1  6  0  0  0
 10 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
  5 38  1  0  0  0  0
 36 39  1  1  0  0  0
 39 40  1  0  0  0  0
  5 41  1  6  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
  3 44  1  0  0  0  0
 44 45  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0077668

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCO[C@@]12C[C@H](OC)[C@@]3(O)C[C@H]([C@@H]1[C@H]3OC(=O)C1=CC=C(OC)C=C1)[C@@]13[C@H]4[C@@H]2[C@@H](OC)[C@@H]1[C@@](COC)(CN4CC)C=C[C@@H]3OC

> <INCHI_IDENTIFIER>
InChI=1S/C35H49NO9/c1-8-36-18-32(19-39-3)15-14-23(41-5)35-22-16-33(38)24(42-6)17-34(44-9-2,26(29(35)36)27(43-7)28(32)35)25(22)30(33)45-31(37)20-10-12-21(40-4)13-11-20/h10-15,22-30,38H,8-9,16-19H2,1-7H3/t22-,23+,24+,25-,26+,27-,28-,29-,30-,32-,33+,34+,35+/m1/s1

> <INCHI_KEY>
UYZMNHRBMGHMRG-ATBVDUSLSA-N

> <FORMULA>
C35H49NO9

> <MOLECULAR_WEIGHT>
627.775

> <EXACT_MASS>
627.340732162

$$$$

HEADER    PROTEIN                                 29-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-APR-22         0                                  
HETATM    1  C   UNK     0       1.225  -1.917   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.020  -1.916   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      -1.171  -2.930   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0      -2.510  -1.133   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.359   0.650   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.721   0.635   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.538  -1.173   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -2.401  -2.096   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -4.082  -2.560   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.176  -0.066   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.659   0.968   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.967   2.178   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.730   1.187   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.493  -0.287   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.500  -1.549   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.890  -1.400   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.767   0.123   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.798   1.598   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       3.722   3.230   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       4.595   4.556   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.132   4.467   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       3.904   5.933   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.366   6.023   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.675   7.399   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.522   8.685   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.059   8.596   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.750   7.219   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       1.831  10.062   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       2.677  11.348   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       3.212  -3.060   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       4.460  -4.143   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.168  -5.655   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       7.181  -0.525   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       8.316  -1.648   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       6.149   2.097   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -1.464  -0.914   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -3.119   0.216   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -3.467  -0.851   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -2.020  -2.889   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      -0.593  -4.033   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -2.201   2.401   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      -3.007   3.799   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      -2.236   5.133   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -1.747  -4.744   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -3.085  -5.725   0.000  0.00  0.00           C+0
CONECT    1    2    7   16                                                  
CONECT    2    1    3   10                                                  
CONECT    3    2    4   44                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   38   41                                             
CONECT    6    5    7   10                                                  
CONECT    7    6    1    8                                                  
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    6    2   11   36                                             
CONECT   11   10   12   17                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   18   35                                             
CONECT   14   13   15   33                                                  
CONECT   15   14   16                                                       
CONECT   16   15    1   17   30                                             
CONECT   17   16   11   18                                                  
CONECT   18   17   13   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   27                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   28                                                  
CONECT   26   25   27                                                       
CONECT   27   26   22                                                       
CONECT   28   25   29                                                       
CONECT   29   28                                                            
CONECT   30   16   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33   14   34                                                       
CONECT   34   33                                                            
CONECT   35   13                                                            
CONECT   36   10   37   39                                                  
CONECT   37   36   38                                                       
CONECT   38   37    5                                                       
CONECT   39   36   40                                                       
CONECT   40   39                                                            
CONECT   41    5   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42                                                            
CONECT   44    3   45                                                       
CONECT   45   44                                                            
MASTER        0    0    0    0    0    0    0    0   45    0  102    0
END

View in JSmol

Synonyms

Value	Source
(1S,2R,3R,4R,5S,6S,8S,9R,10R,13R,16S,17R,18S)-8-Ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1,.0,.0,.0,]nonadec-14-en-4-yl 4-methoxybenzoic acid	Generator

Chemical Formula

C₃₅H₄₉NO₉

Average Mass

627.7750 Da

Monoisotopic Mass

627.34073 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCO[C@@]12C[C@H](OC)[C@@]3(O)C[C@H]([C@@H]1[C@H]3OC(=O)C1=CC=C(OC)C=C1)[C@@]13[C@H]4[C@@H]2[C@@H](OC)[C@@H]1[C@@](COC)(CN4CC)C=C[C@@H]3OC

InChI Identifier

InChI=1S/C35H49NO9/c1-8-36-18-32(19-39-3)15-14-23(41-5)35-22-16-33(38)24(42-6)17-34(44-9-2,26(29(35)36)27(43-7)28(32)35)25(22)30(33)45-31(37)20-10-12-21(40-4)13-11-20/h10-15,22-30,38H,8-9,16-19H2,1-7H3/t22-,23+,24+,25-,26+,27-,28-,29-,30-,32-,33+,34+,35+/m1/s1

InChI Key

UYZMNHRBMGHMRG-ATBVDUSLSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Aconitum episcopale	Plant	KNApSAcK
Aconitum sp.	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
P-methoxybenzoic acid or derivatives
Quinolidine
Benzoate ester
Alkaloid or derivatives
Benzoic acid or derivatives
Phenoxy compound
Methoxybenzene
Phenol ether
Benzoyl
Anisole
Azepane
Alkyl aryl ether
Benzenoid
Piperidine
Monocyclic benzene moiety
Tertiary alcohol
Cyclic alcohol
Tertiary aliphatic amine
Tertiary amine
Carboxylic acid ester
Amino acid or derivatives
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Ether
Dialkyl ether
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
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

162970240

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for (+)-Liaconitine C (NP0077668)

MOL for NP0077668 ((+)-Liaconitine C)

3D MOL for NP0077668 ((+)-Liaconitine C)

3D SDF for NP0077668 ((+)-Liaconitine C)

3D-SDF for NP0077668 ((+)-Liaconitine C)

PDB for NP0077668 ((+)-Liaconitine C)

3D PDB for NP0077668 ((+)-Liaconitine C)

SMILES for NP0077668 ((+)-Liaconitine C)

INCHI for NP0077668 ((+)-Liaconitine C)

Structure for NP0077668 ((+)-Liaconitine C)

3D Structure for NP0077668 ((+)-Liaconitine C)