NP-MRD: Showing NP-Card for (-)-Magnocurarine (NP0068078)

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Record Information

Version

2.0

Created at

2022-04-28 13:05:12 UTC

Updated at

2022-04-28 13:05:12 UTC

NP-MRD ID

NP0068078

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-Magnocurarine

Description

Magnocurarine belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached. (-)-Magnocurarine is found in Cissampelos pareira , Evodia cf. trichotoma, Gnetum montanum , Leontice leontopetalum, Lindera angustifolia, Lindera megaphylla, Litsea cubeba , Magnolia obovata , Magnolia officinalis , Magnolia rostrata, Magnolia sprengeri , Papaver bracteatum , Phellodendron amurense , Tetradium trichotomum and Tiliacora racemosa colebr.. (-)-Magnocurarine was first documented in 2020 (PMID: 32726676). Based on a literature review a small amount of articles have been published on Magnocurarine (PMID: 34903659) (PMID: 32843671) (PMID: 32134650) (PMID: 31865477).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 47 49  0  0  0  0  0  0  0  0999 V2000
   -4.1310    3.3829   -0.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7638    3.3841   -0.5221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9682    2.2550   -0.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5120    0.9860   -0.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6824   -0.0998   -0.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3216   -0.0260   -0.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1955    1.2183   -0.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6251    2.3588   -0.8193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0438    3.5879   -1.0768 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5190   -1.2549   -0.6071 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1908   -1.3846    0.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0493   -0.2361    1.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3776   -0.1999    0.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1843    0.8963    1.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6146    1.9518    1.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4007    3.0579    2.0513 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2946    1.9483    2.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5301    0.8418    1.7573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1915   -2.4432   -0.9257 N   0  0  1  0  0  4  0  0  0  0  0  0
    0.3552   -2.9528   -2.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0035   -3.5351    0.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004   -2.3402   -1.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2447   -1.4617   -0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3748    3.2979    0.8216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5717    4.3334   -0.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6706    2.5588   -0.7723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5679    0.8637   -0.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2269    1.3476   -1.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6403    4.4021   -1.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3205   -1.0798   -1.3763 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3197   -1.4534    1.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7503   -2.3202    0.8669 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8630   -1.0056    0.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2302    0.9603    0.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0372    3.8484    2.5399 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8583    2.7823    2.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4964    0.8533    2.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3277   -3.7375   -2.5798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3347   -2.0866   -2.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3718   -3.3479   -2.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3555   -3.2857    1.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6696   -4.3882   -0.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0130   -3.9738   -0.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0586   -3.3377   -1.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8726   -1.8916   -2.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3397   -1.4945   -0.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9965   -1.7799    0.9440 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
  6 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 10 19  1  0
 19 20  1  6
 19 21  1  0
 19 22  1  0
 22 23  1  0
  8  3  1  0
 18 12  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
  9 29  1  0
 10 30  1  6
 11 31  1  0
 11 32  1  0
 13 33  1  0
 14 34  1  0
 16 35  1  0
 17 36  1  0
 18 37  1  0
 20 38  1  0
 20 39  1  0
 20 40  1  0
 21 41  1  0
 21 42  1  0
 21 43  1  0
 22 44  1  0
 22 45  1  0
 23 46  1  0
 23 47  1  0
M  CHG  1  19   1
M  END


  Mrv1652304282215052D          

 23 25  0  0  1  0            999 V2000
   -0.7145   -0.4125    0.0000 N   0  3  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
    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  1  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    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
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   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
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5390   -0.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517    0.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  6  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
 11 14  1  0  0  0  0
  5 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
  4 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
M  CHG  1   1   1
M  END
> <DATABASE_ID>
NP0068078

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC2=C(C=C1O)[C@@H](CC1=CC=C(O)C=C1)[N+](C)(C)CC2

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

> <INCHI_KEY>
CLWOXNLVWMXBRD-QGZVFWFLSA-O

> <FORMULA>
C19H24NO3

> <MOLECULAR_WEIGHT>
314.404

> <EXACT_MASS>
314.175070057

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
35.40201591441128

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R)-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium

> <ALOGPS_LOGP>
0.82

> <JCHEM_LOGP>
-0.8997060438050789

> <ALOGPS_LOGS>
-5.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
10.258456906043975

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.62511511611934

> <JCHEM_PKA_STRONGEST_BASIC>
-4.892856994151371

> <JCHEM_POLAR_SURFACE_AREA>
49.69

> <JCHEM_REFRACTIVITY>
103.28670000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.51e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
magnocurarine

> <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  N   UNK     0      -1.334  -0.770   0.000  0.00  0.00           N+1
HETATM    2  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -5.335   4.620   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       5.335  -0.000   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -2.873  -0.716   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.150   0.536   0.000  0.00  0.00           C+0
CONECT    1    2    6   22   23                                             
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   18                                                  
CONECT    5    4    6   15                                                  
CONECT    6    5    1    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   14                                                  
CONECT   12   11   13                                                       
CONECT   13   12    8                                                       
CONECT   14   11                                                            
CONECT   15    5   16                                                       
CONECT   16   15   17   21                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17    4                                                       
CONECT   19   17   20                                                       
CONECT   20   19                                                            
CONECT   21   16                                                            
CONECT   22    1                                                            
CONECT   23    1                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Value	Source
Magnocurarine chloride, (R)-isomer	MeSH
Magnocurarine iodide, (S)-isomer	MeSH

Chemical Formula

C₁₉H₂₄NO₃

Average Mass

314.4040 Da

Monoisotopic Mass

314.17507 Da

IUPAC Name

(1R)-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium

Traditional Name

magnocurarine

CAS Registry Number

Not Available

SMILES

COC1=CC2=C(C=C1O)[C@@H](CC1=CC=C(O)C=C1)[N+](C)(C)CC2

InChI Identifier

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

InChI Key

CLWOXNLVWMXBRD-QGZVFWFLSA-O

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
Cissampelos pareira	Plant	KNApSAcK
Evodia cf. trichotoma	Plant	KNApSAcK
Gnetum montanum	Plant	KNApSAcK
Leontice leontopetalum	LOTUS Database	35616633
Lindera angustifolia	Plant	KNApSAcK
Lindera megaphylla	LOTUS Database	35616633
Litsea cubeba	Plant	KNApSAcK
Magnolia obovata	Plant	KNApSAcK
Magnolia officinalis	Plant	KNApSAcK
Magnolia rostrata	Plant	KNApSAcK
Magnolia sprengeri	Plant	KNApSAcK
Papaver bracteatum	Plant	KNApSAcK
Phellodendron amurense	Plant	KNApSAcK
Tetradium trichotomum	LOTUS Database	35616633
Tiliacora racemosa colebr.	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
1-hydroxy-2-unsubstituted benzenoid
Phenol
Alkyl aryl ether
Aralkylamine
Monocyclic benzene moiety
Benzenoid
Tetraalkylammonium salt
Quaternary ammonium salt
Azacycle
Ether
Amine
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic salt
Organic cation
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

isoquinolines (CHEBI:80846 )

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	0.82	ALOGPS
logP	-0.9	ChemAxon
logS	-5.4	ALOGPS
pKa (Strongest Acidic)	9.63	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	49.69 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	103.29 m³·mol⁻¹	ChemAxon
Polarizability	35.4 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

C00025937

Chemspider ID

48111

KEGG Compound ID

C16991

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

53266

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

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 ]
Bhatt V, Kumari S, Upadhyay P, Agrawal P, Anmol, Sahal D, Sharma U: Chemical profiling and quantification of potential active constituents responsible for the antiplasmodial activity of Cissampelos pareira. J Ethnopharmacol. 2020 Nov 15;262:113185. doi: 10.1016/j.jep.2020.113185. Epub 2020 Jul 26. [PubMed:32726676 ]
Huang YF, He F, Wang CJ, Xie Y, Zhang YY, Sang Z, Qiu P, Luo P, Xiao SY, Li J, Wu FC, Liu L, Zhou H: Discovery of chemical markers for improving the quality and safety control of Sinomenium acutum stem by the simultaneous determination of multiple alkaloids using UHPLC-QQQ-MS/MS. Sci Rep. 2020 Aug 25;10(1):14182. doi: 10.1038/s41598-020-71133-4. [PubMed:32843671 ]
Freitas L, Valli M, Dametto AC, Pennacchi PC, Andricopulo AD, Maria-Engler SS, Bolzani VS: Advanced Glycation End Product Inhibition by Alkaloids from Ocotea paranapiacabensis for the Prevention of Skin Aging. J Nat Prod. 2020 Mar 27;83(3):649-656. doi: 10.1021/acs.jnatprod.9b01083. Epub 2020 Mar 5. [PubMed:32134650 ]
Zhao W, Shen C, Zhu J, Ou C, Liu M, Dai W, Liu X, Liu J: Identification and characterization of methyltransferases involved in benzylisoquinoline alkaloids biosynthesis from Stephania intermedia. Biotechnol Lett. 2020 Mar;42(3):461-469. doi: 10.1007/s10529-019-02785-0. Epub 2019 Dec 21. [PubMed:31865477 ]

Showing NP-Card for (-)-Magnocurarine (NP0068078)

MOL for NP0068078 ((-)-Magnocurarine)

3D MOL for NP0068078 ((-)-Magnocurarine)

3D SDF for NP0068078 ((-)-Magnocurarine)

3D-SDF for NP0068078 ((-)-Magnocurarine)

PDB for NP0068078 ((-)-Magnocurarine)

3D PDB for NP0068078 ((-)-Magnocurarine)

SMILES for NP0068078 ((-)-Magnocurarine)

INCHI for NP0068078 ((-)-Magnocurarine)

Structure for NP0068078 ((-)-Magnocurarine)

3D Structure for NP0068078 ((-)-Magnocurarine)