NP-MRD: Showing NP-Card for (-)-Armepavine (NP0050940)

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Record Information

Version

2.0

Created at

2022-04-27 22:24:44 UTC

Updated at

2022-04-27 22:24:44 UTC

NP-MRD ID

NP0050940

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-Armepavine

Description

Armepavine belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached. (-)-Armepavine is found in Aconitum variegatum, Aniba canelilla , Berberis integerrima, Berberis turcomanica, Discaria chacaye, Euonymus europaea , Nelumbo lutea, Nelumbo nucifera , Papaver caucasicum, Papaver fugax Poir., Papaver persicum, Phoebe minutiflora, Rhamnus frangula , Roemeria refracta , Thalictrum flavum and Xylopia pancheri. (-)-Armepavine was first documented in 2019 (PMID: 31695616). Based on a literature review a small amount of articles have been published on Armepavine (PMID: 34903659) (PMID: 34139281) (PMID: 33596472) (PMID: 32503690).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 46 48  0  0  0  0  0  0  0  0999 V2000
    5.6808    0.6957   -1.5902 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0199    0.5636   -0.3587 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6564    0.3650   -0.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8520    0.2849   -1.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5026    0.0887   -1.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9788   -0.0248    0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7928    0.0563    1.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1528    0.2538    1.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0033    0.3410    2.1648 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4478    0.2219    3.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4825   -0.2341    0.1631 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2460    1.0725    0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6953    0.8185    0.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4777    0.6275   -0.8595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8442    0.3852   -0.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3936    0.3431    0.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7527    0.1037    0.5918 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6292    0.5321    1.6133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2775    0.7699    1.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9523   -1.1290   -0.8237 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1160   -2.4873   -0.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5113   -0.9851   -2.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5831   -0.0085   -2.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6810    1.1708   -1.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1014    1.3573   -2.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8466   -0.3188   -2.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2551    0.3732   -2.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694   -0.0348    2.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9769    1.1738    3.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158   -0.0423    4.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7527   -0.6403    3.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6577   -0.6784    1.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8725    1.7746    0.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0850    1.5860   -0.8387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0167    0.6678   -1.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4134    0.2419   -1.6801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2053    0.0625    1.4828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0553    0.5001    2.5986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6647    0.9198    2.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6398   -3.1377   -1.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6919   -2.6849    0.6225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1993   -2.8060   -0.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1680   -2.0050   -2.5005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3618   -0.7348   -2.8355 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1980   -0.3940   -3.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2426    0.9949   -2.7404 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 11 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
  8  3  1  0
 19 13  1  0
 23  5  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  7 28  1  0
 10 29  1  0
 10 30  1  0
 10 31  1  0
 11 32  1  1
 12 33  1  0
 12 34  1  0
 14 35  1  0
 15 36  1  0
 17 37  1  0
 18 38  1  0
 19 39  1  0
 21 40  1  0
 21 41  1  0
 21 42  1  0
 22 43  1  0
 22 44  1  0
 23 45  1  0
 23 46  1  0
M  END


  Mrv1652304282200242D          

 23 25  0  0  1  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 19 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0050940

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC2=C(C=C1OC)[C@@H](CC1=CC=C(O)C=C1)N(C)CC2

> <INCHI_IDENTIFIER>
InChI=1S/C19H23NO3/c1-20-9-8-14-11-18(22-2)19(23-3)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17,21H,8-10H2,1-3H3/t17-/m1/s1

> <INCHI_KEY>
ZBKFZIUKXTWQTP-QGZVFWFLSA-N

> <FORMULA>
C19H23NO3

> <MOLECULAR_WEIGHT>
313.397

> <EXACT_MASS>
313.167793605

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
35.39008435588714

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenol

> <ALOGPS_LOGP>
3.23

> <JCHEM_LOGP>
3.2924339870651957

> <ALOGPS_LOGS>
-3.70

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.227845719641001

> <JCHEM_PKA_STRONGEST_BASIC>
8.34875353991048

> <JCHEM_POLAR_SURFACE_AREA>
41.93000000000001

> <JCHEM_REFRACTIVITY>
91.8554

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.32e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
armepavine

> <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       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -2.667  -0.000   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0       4.001  -2.310   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
CONECT    1    2    6   14                                                  
CONECT    2    1    3   11                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8                                                       
CONECT    8    7                                                            
CONECT    9    4   10                                                       
CONECT   10    9                                                            
CONECT   11    2   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   23                                                  
CONECT   14   13    1   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   22                                                  
CONECT   20   19   21                                                       
CONECT   21   20   16                                                       
CONECT   22   19                                                            
CONECT   23   13                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Value	Source
Armepavine, (+-)-isomer	MeSH
Armepavine, (R)-isomer	MeSH
Armepavine, (S)-isomer	MeSH

Chemical Formula

C₁₉H₂₃NO₃

Average Mass

313.3970 Da

Monoisotopic Mass

313.16779 Da

IUPAC Name

4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenol

Traditional Name

armepavine

CAS Registry Number

Not Available

SMILES

COC1=CC2=C(C=C1OC)[C@@H](CC1=CC=C(O)C=C1)N(C)CC2

InChI Identifier

InChI=1S/C19H23NO3/c1-20-9-8-14-11-18(22-2)19(23-3)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17,21H,8-10H2,1-3H3/t17-/m1/s1

InChI Key

ZBKFZIUKXTWQTP-QGZVFWFLSA-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
Aconitum variegatum	LOTUS Database	35616633
Aniba canelilla	Plant	KNApSAcK
Berberis integerrima	Plant	KNApSAcK
Berberis turcomanica	Plant	KNApSAcK
Discaria chacaye	LOTUS Database	35616633
Euonymus europaea	Plant	KNApSAcK
Nelumbo lutea	LOTUS Database	35616633
Nelumbo nucifera	Plant	KNApSAcK
Papaver caucasicum	Plant	KNApSAcK
Papaver fugax Poir.	Plant	KNApSAcK
Papaver persicum	Plant	KNApSAcK
Phoebe minutiflora	Plant	KNApSAcK
Rhamnus frangula	Plant	KNApSAcK
Roemeria refracta	Plant	KNApSAcK
Thalictrum flavum	LOTUS Database	35616633
Xylopia pancheri	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Sub Class

Benzylisoquinolines

Direct Parent

Benzylisoquinolines

Alternative Parents

Substituents

Benzylisoquinoline
Tetrahydroisoquinoline
Anisole
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Phenol
Aralkylamine
Monocyclic benzene moiety
Benzenoid
Tertiary amine
Tertiary aliphatic amine
Azacycle
Ether
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

isoquinolines (CHEBI:2826 )

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	3.23	ALOGPS
logP	3.29	ChemAxon
logS	-3.7	ALOGPS
pKa (Strongest Acidic)	10.23	ChemAxon
pKa (Strongest Basic)	8.35	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	4	ChemAxon
Refractivity	91.86 m³·mol⁻¹	ChemAxon
Polarizability	35.39 Å³	ChemAxon
Number of Rings	3	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

C00001810

Chemspider ID

390685

KEGG Compound ID

C09342

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

442169

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Zou S, Ge Y, Chen X, Li J, Yang X, Wang H, Gao X, Chang YX: Simultaneous Determination of Five Alkaloids by HPLC-MS/MS Combined With Micro-SPE in Rat Plasma and Its Application to Pharmacokinetics After Oral Administration of Lotus Leaf Extract. Front Pharmacol. 2019 Oct 22;10:1252. doi: 10.3389/fphar.2019.01252. eCollection 2019. [PubMed:31695616 ]
Payne JT, Valentic TR, Smolke CD: Complete biosynthesis of the bisbenzylisoquinoline alkaloids guattegaumerine and berbamunine in yeast. Proc Natl Acad Sci U S A. 2021 Dec 21;118(51). pii: 2112520118. doi: 10.1073/pnas.2112520118. [PubMed:34903659 ]
Zhou H, Hou T, Gao Z, Guo X, Wang C, Wang J, Liu Y, Liang X: Discovery of eight alkaloids with D1 and D2 antagonist activity in leaves of Nelumbo nucifera Gaertn. Using FLIPR assays. J Ethnopharmacol. 2021 Oct 5;278:114335. doi: 10.1016/j.jep.2021.114335. Epub 2021 Jun 15. [PubMed:34139281 ]
Zhang Y, Li L, Zhang J, Lin T, Jiang Y, Liu B: Screening of hypolipidemic active components in Jiang-Zhi-Ning and its preliminary mechanism research based on "active contribution value" study. J Ethnopharmacol. 2021 May 23;272:113926. doi: 10.1016/j.jep.2021.113926. Epub 2021 Feb 14. [PubMed:33596472 ]
Xu W, Chen S, Wang X, Wu H, Yamada H, Hirano T: Bisbenzylisoquinoline alkaloids and P-glycoprotein function: A structure activity relationship study. Bioorg Med Chem. 2020 Jun 15;28(12):115553. doi: 10.1016/j.bmc.2020.115553. Epub 2020 May 11. [PubMed:32503690 ]

Showing NP-Card for (-)-Armepavine (NP0050940)

MOL for NP0050940 ((-)-Armepavine)

3D MOL for NP0050940 ((-)-Armepavine)

3D SDF for NP0050940 ((-)-Armepavine)

3D-SDF for NP0050940 ((-)-Armepavine)

PDB for NP0050940 ((-)-Armepavine)

3D PDB for NP0050940 ((-)-Armepavine)

SMILES for NP0050940 ((-)-Armepavine)

INCHI for NP0050940 ((-)-Armepavine)

Structure for NP0050940 ((-)-Armepavine)

3D Structure for NP0050940 ((-)-Armepavine)