NP-MRD: Showing NP-Card for Thalisopidine (NP0070521)

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Record Information

Version

1.0

Created at

2022-04-28 15:54:51 UTC

Updated at

2022-04-28 15:54:51 UTC

NP-MRD ID

NP0070521

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Thalisopidine

Description

THALISOPIDINE belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed. Thalisopidine is found in Thalictrum fargesii, Thalictrum fargestii and Thalictrum isopyroides. It was first documented in 2002 (PMID: 12203262). Based on a literature review a significant number of articles have been published on THALISOPIDINE (PMID: 35487686) (PMID: 35487685) (PMID: 35487684) (PMID: 35487683).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282217542D          

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M  END

     RDKit          3D

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M  END


  Mrv1652304282217542D          

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    9.3049   -3.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4644   -3.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -2.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8773   -4.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3389   -4.7818    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8239   -5.4691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5047   -6.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6788   -6.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1583   -5.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4849   -4.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9506   -4.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1094   -4.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8203   -5.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3178   -5.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0039   -5.2093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6988   -5.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6169   -3.5616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9906   -2.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6894   -2.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1827   -1.3779    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9144   -0.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8110   -0.6275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9902   -0.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5101   -1.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8510   -1.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3205   -2.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6035   -3.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4180   -3.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816   -4.3315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1363   -4.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0745   -4.0426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3583   -4.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5072   -2.4936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2814    0.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6439   -5.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8713   -1.4059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 19 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
  1 31  1  0  0  0  0
 30 32  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 29 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 28 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 37 41  1  0  0  0  0
 41 42  1  0  0  0  0
 36 43  1  0  0  0  0
 32 44  1  0  0  0  0
 16 45  1  0  0  0  0
  9 46  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0070521

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC2=C3C=C1OC1=C4[C@H](CC5=CC=C(OC6=C(O)C=CC(C[C@@H]3N(C)CC2)=C6)C=C5)N(C)CCC4=C(O)C(OC)=C1OC

> <INCHI_IDENTIFIER>
InChI=1S/C37H40N2O7/c1-38-14-12-23-19-31(42-3)32-20-26(23)27(38)17-22-8-11-29(40)30(18-22)45-24-9-6-21(7-10-24)16-28-33-25(13-15-39(28)2)34(41)36(43-4)37(44-5)35(33)46-32/h6-11,18-20,27-28,40-41H,12-17H2,1-5H3/t27-,28-/m0/s1

> <INCHI_KEY>
AFIKQDOXLXLVDZ-NSOVKSMOSA-N

> <FORMULA>
C37H40N2O7

> <MOLECULAR_WEIGHT>
624.734

> <EXACT_MASS>
624.283551636

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
86

> <JCHEM_AVERAGE_POLARIZABILITY>
66.8813521236122

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,14S)-20,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2^{9,12}.1^{3,7}.1^{14,18}.0^{27,31}.0^{22,33}]hexatriaconta-3(36),4,6,9,11,18,20,22(33),24(32),25,27(31),34-dodecaene-6,19-diol

> <ALOGPS_LOGP>
5.39

> <JCHEM_LOGP>
5.58834347449933

> <ALOGPS_LOGS>
-4.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
10.317248842791733

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.785767990704754

> <JCHEM_PKA_STRONGEST_BASIC>
7.929780204561959

> <JCHEM_POLAR_SURFACE_AREA>
93.09000000000002

> <JCHEM_REFRACTIVITY>
177.61319999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.47e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,14S)-20,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2^{9,12}.1^{3,7}.1^{14,18}.0^{27,31}.0^{22,33}]hexatriaconta-3(36),4,6,9,11,18,20,22(33),24(32),25,27(31),34-dodecaene-6,19-diol

> <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      10.640  -1.062   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      11.250  -2.501   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.770  -2.723   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.790  -1.534   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.178  -0.073   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.635   0.153   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      15.175  -2.368   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      16.000  -3.731   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      17.552  -3.892   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      18.251  -5.282   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      17.369  -6.561   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      15.800  -6.494   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      15.173  -5.061   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      14.704  -7.681   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      13.699  -8.926   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0      14.605 -10.209   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      14.009 -11.637   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      12.467 -11.817   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.496 -10.580   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      12.105  -9.131   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.108  -7.904   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.538  -8.020   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.998  -9.502   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.927 -10.753   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       7.474  -9.724   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       6.904 -11.155   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       8.618  -6.648   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       7.449  -5.478   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.887  -3.935   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.808  -2.572   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.174  -1.723   0.000  0.00  0.00           C+0
HETATM   32  N   UNK     0       7.114  -1.171   0.000  0.00  0.00           N+0
HETATM   33  C   UNK     0       5.582  -1.014   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.686  -2.268   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       5.322  -3.705   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       4.332  -4.913   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.860  -6.364   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       6.380  -6.626   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       6.872  -8.085   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       5.854  -9.241   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       3.872  -7.546   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       4.402  -8.992   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       2.813  -4.655   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       7.992   0.094   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      16.135 -10.041   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0      18.426  -2.624   0.000  0.00  0.00           O+0
CONECT    1    2    6   31                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    6                                                       
CONECT    6    5    1                                                       
CONECT    7    4    8                                                       
CONECT    8    7    9   13                                                  
CONECT    9    8   10   46                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12    8                                                       
CONECT   14   12   15                                                       
CONECT   15   14   16   20                                                  
CONECT   16   15   17   45                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   24                                                  
CONECT   20   19   15   21                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   27                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23   19                                                       
CONECT   25   23   26                                                       
CONECT   26   25                                                            
CONECT   27   22   28                                                       
CONECT   28   27   29   38                                                  
CONECT   29   28   30   35                                                  
CONECT   30   29   31   32                                                  
CONECT   31   30    1                                                       
CONECT   32   30   33   44                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   29   36                                                  
CONECT   36   35   37   43                                                  
CONECT   37   36   38   41                                                  
CONECT   38   37   28   39                                                  
CONECT   39   38   40                                                       
CONECT   40   39                                                            
CONECT   41   37   42                                                       
CONECT   42   41                                                            
CONECT   43   36                                                            
CONECT   44   32                                                            
CONECT   45   16                                                            
CONECT   46    9                                                            
MASTER        0    0    0    0    0    0    0    0   46    0  104    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₇H₄₀N₂O₇

Average Mass

624.7340 Da

Monoisotopic Mass

624.28355 Da

IUPAC Name

(1S,14S)-20,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2^{9,12}.1^{3,7}.1^{14,18}.0^{27,31}.0^{22,33}]hexatriaconta-3(36),4,6,9,11,18,20,22(33),24(32),25,27(31),34-dodecaene-6,19-diol

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1=CC2=C3C=C1OC1=C4[C@H](CC5=CC=C(OC6=C(O)C=CC(C[C@@H]3N(C)CC2)=C6)C=C5)N(C)CCC4=C(O)C(OC)=C1OC

InChI Identifier

InChI=1S/C37H40N2O7/c1-38-14-12-23-19-31(42-3)32-20-26(23)27(38)17-22-8-11-29(40)30(18-22)45-24-9-6-21(7-10-24)16-28-33-25(13-15-39(28)2)34(41)36(43-4)37(44-5)35(33)46-32/h6-11,18-20,27-28,40-41H,12-17H2,1-5H3/t27-,28-/m0/s1

InChI Key

AFIKQDOXLXLVDZ-NSOVKSMOSA-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
Thalictrum fargesii	LOTUS Database	35616633
Thalictrum fargestii	Plant	KNApSAcK
Thalictrum isopyroides	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Not Available

Sub Class

Not Available

Direct Parent

Lignans, neolignans and related compounds

Alternative Parents

Substituents

Oxyneolignan skeleton
Diaryl ether
Tetrahydroisoquinoline
Anisole
Phenol ether
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Aralkylamine
Phenol
Benzenoid
Tertiary amine
Tertiary aliphatic amine
Organoheterocyclic compound
Azacycle
Oxacycle
Ether
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organic oxygen compound
Organic nitrogen 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	5.39	ALOGPS
logP	5.59	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	8.79	ChemAxon
pKa (Strongest Basic)	7.93	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	93.09 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	177.61 m³·mol⁻¹	ChemAxon
Polarizability	66.88 Å³	ChemAxon
Number of Rings	7	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

C00029112

Chemspider ID

31147426

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

76319466

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Ridge KM, Eriksson JE, Pekny M, Goldman RD: Roles of vimentin in health and disease. Genes Dev. 2022 Apr 1;36(7-8):391-407. doi: 10.1101/gad.349358.122. [PubMed:35487686 ]
Comabella M, Sastre-Garriga J, Carbonell-Mirabent P, Fissolo N, Tur C, Malhotra S, Pareto D, Aymerich FX, Rio J, Rovira A, Tintore M, Montalban X: Serum neurofilament light chain levels predict long-term disability progression in patients with progressive multiple sclerosis. J Neurol Neurosurg Psychiatry. 2022 Apr 29. pii: jnnp-2022-329020. doi: 10.1136/jnnp-2022-329020. [PubMed:35487685 ]
Wezenbeek E, Denolf S, Willems TM, Pieters D, Bourgois JG, Philippaerts RM, De Winne B, Wieme M, Van Hecke R, Markey L, Schuermans J, Witvrouw E, Verstockt S: Association between SARS-COV-2 infection and muscle strain injury occurrence in elite male football players: a prospective study of 29 weeks including three teams from the Belgian professional football league. Br J Sports Med. 2022 Apr 29. pii: bjsports-2021-104595. doi: 10.1136/bjsports-2021-104595. [PubMed:35487684 ]
Wagner JL, Smith KJ, Johnson C, Hilaire ML, Medina MS: Best Practices in Syllabus Design. Am J Pharm Educ. 2022 Apr 29:8995. doi: 10.5688/ajpe8995. [PubMed:35487683 ]
del Rayo Camacho M, Phillipson JD, Croft SL, Rock P, Marshall SJ, Schiff PL Jr: In vitro activity of Triclisia patens and some bisbenzylisoquinoline alkaloids against Leishmania donovani and Trypanosoma brucei brucei. Phytother Res. 2002 Aug;16(5):432-6. doi: 10.1002/ptr.929. [PubMed:12203262 ]

Showing NP-Card for Thalisopidine (NP0070521)

MOL for NP0070521 (Thalisopidine)

3D MOL for NP0070521 (Thalisopidine)

3D SDF for NP0070521 (Thalisopidine)

3D-SDF for NP0070521 (Thalisopidine)

PDB for NP0070521 (Thalisopidine)

3D PDB for NP0070521 (Thalisopidine)

SMILES for NP0070521 (Thalisopidine)

INCHI for NP0070521 (Thalisopidine)

Structure for NP0070521 (Thalisopidine)

3D Structure for NP0070521 (Thalisopidine)