NP-MRD: Showing NP-Card for 1,2-Dehydroreticuline (NP0068983)

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Record Information

Version

2.0

Created at

2022-04-28 14:15:55 UTC

Updated at

2022-04-28 14:15:55 UTC

NP-MRD ID

NP0068983

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1,2-Dehydroreticuline

Description

Reticulinylium belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached. Reticulinylium is an extremely weak basic (essentially neutral) compound (based on its pKa). 1,2-Dehydroreticuline is found in Xylopia parviflora . 1,2-Dehydroreticuline was first documented in 2004 (PMID: 15081299). A benzylisoquinoline alkaloid that is obtained by selective dehydrogenation at the 1,2-position of reticuline.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 46 48  0  0  0  0  0  0  0  0999 V2000
    6.7603    0.7755    1.7972 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0319   -0.2212    1.1416 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6480   -0.2367    1.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8502    0.7443    1.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4851    0.6966    1.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8511   -0.3553    0.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4161   -0.4231    0.8135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3922    0.0936   -0.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0079    0.5560   -1.3818 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.4028    0.6102   -1.7405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9077    1.2145   -2.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1698    0.4741   -2.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7536    0.2108   -1.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1217    0.1513   -0.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5950   -0.2189    0.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9736   -0.2924    0.5181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9171    0.0097   -0.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7264   -0.5258    1.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1711   -0.9036    2.5496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3506   -0.4634    1.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8726   -0.0891   -0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6647   -1.3057    0.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0279   -1.2701    0.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7870   -2.2954   -0.2090 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7605    0.4321    2.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2559    1.1430    2.7365 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9027    1.6199    1.1045 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3432    1.5440    2.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8471    1.4432    1.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1149   -1.5205    0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0416   -0.0379    1.8289 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7028   -0.3882   -2.0816 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4801    1.2399   -2.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0429    1.1460   -1.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3697    1.3063   -3.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1093    2.2683   -1.9868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9005   -0.5518   -2.8769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9133    0.9554   -3.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7815    0.3873   -1.7323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9776    1.1032   -0.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6206   -0.4504   -1.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9151   -0.3830   -0.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1615   -0.9654    2.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6773   -0.7176    1.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1831   -2.1372   -0.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7855   -2.3069   -0.1688 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  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
  6 22  1  0
 22 23  2  0
 23 24  1  0
 23  3  1  0
 21  8  1  0
 21 13  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  4 28  1  0
  5 29  1  0
  7 30  1  0
  7 31  1  0
 10 32  1  0
 10 33  1  0
 10 34  1  0
 11 35  1  0
 11 36  1  0
 12 37  1  0
 12 38  1  0
 14 39  1  0
 17 40  1  0
 17 41  1  0
 17 42  1  0
 19 43  1  0
 20 44  1  0
 22 45  1  0
 24 46  1  0
M  CHG  1   9   1
M  END


  Mrv1533004161513282D          

 24 26  0  0  0  0            999 V2000
   -1.4289   -4.9500    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
   -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
    0.7145   -2.8875    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
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 N   0  3  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   -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
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   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
    4.2868   -1.6500    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
    2.1434   -1.2375    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
    0.0000   -4.9500    0.0000 O   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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  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
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
  8 21  1  0  0  0  0
 13 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  2  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  CHG  1   9   1
M  END
> <DATABASE_ID>
NP0068983

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(CC2=[N+](C)CCC3=CC(OC)=C(O)C=C23)C=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C19H21NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11H,6-8H2,1-3H3,(H-,21,22)/p+1

> <INCHI_KEY>
ZALYXKJOOUDZCC-UHFFFAOYSA-O

> <FORMULA>
C19H22NO4

> <MOLECULAR_WEIGHT>
328.387

> <EXACT_MASS>
328.154334613

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
35.77941819716101

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium

> <ALOGPS_LOGP>
-0.33

> <JCHEM_LOGP>
-0.7974801768050794

> <ALOGPS_LOGS>
-4.75

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
10.08199026733053

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.456326094854154

> <JCHEM_PKA_STRONGEST_BASIC>
-4.593262935859359

> <JCHEM_POLAR_SURFACE_AREA>
61.93000000000001

> <JCHEM_REFRACTIVITY>
104.44590000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.42e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,2-dehydroreticuline

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  C   UNK     0      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -2.667  -7.700   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       1.334  -2.310   0.000  0.00  0.00           N+1
HETATM   10  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       8.002  -0.000   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       0.000  -9.240   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   23                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   22                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   21                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   21                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   15   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20    8   13                                                  
CONECT   22    6   23                                                       
CONECT   23   22    3   24                                                  
CONECT   24   23                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Value	Source
1,2-Dehydroreticuline	ChEBI
1,2-Dehydroreticulinium	ChEBI
3,4-Dihydro-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-(methyl-14C)-isoquinolinium	ChEBI

Chemical Formula

C₁₉H₂₂NO₄

Average Mass

328.3870 Da

Monoisotopic Mass

328.15433 Da

IUPAC Name

7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium

Traditional Name

1,2-dehydroreticuline

CAS Registry Number

Not Available

SMILES

COC1=CC=C(CC2=[N+](C)CCC3=CC(OC)=C(O)C=C23)C=C1O

InChI Identifier

InChI=1S/C19H21NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11H,6-8H2,1-3H3,(H-,21,22)/p+1

InChI Key

ZALYXKJOOUDZCC-UHFFFAOYSA-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
Xylopia parviflora	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
Dihydroisoquinoline
Methoxyphenol
Anisole
Phenoxy compound
Phenol ether
Methoxybenzene
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Ether
Azacycle
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic cation
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

organic cation (CHEBI:18363 )
benzylisoquinoline alkaloid (CHEBI:18363 )
a small molecule (12-DEHYDRORETICULINIUM )

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	-0.33	ALOGPS
logP	-0.8	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	9.46	ChemAxon
pKa (Strongest Basic)	-4.6	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	61.93 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	104.45 m³·mol⁻¹	ChemAxon
Polarizability	35.78 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

C00027111

Chemspider ID

Not Available

KEGG Compound ID

C06167

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

440930

PDB ID

Not Available

ChEBI ID

18363

Good Scents ID

Not Available

References

General References

Nishiyama Y, Moriyasu M, Ichimaru M, Iwasa K, Kato A, Mathenge SG, Chalo Mutiso PB, Juma FD: Quaternary isoquinoline alkaloids from Xylopia parviflora. Phytochemistry. 2004 Apr;65(7):939-44. doi: 10.1016/j.phytochem.2003.12.010. [PubMed:15081299 ]

Showing NP-Card for 1,2-Dehydroreticuline (NP0068983)

MOL for NP0068983 (1,2-Dehydroreticuline)

3D MOL for NP0068983 (1,2-Dehydroreticuline)

3D SDF for NP0068983 (1,2-Dehydroreticuline)

3D-SDF for NP0068983 (1,2-Dehydroreticuline)

PDB for NP0068983 (1,2-Dehydroreticuline)

3D PDB for NP0068983 (1,2-Dehydroreticuline)

SMILES for NP0068983 (1,2-Dehydroreticuline)

INCHI for NP0068983 (1,2-Dehydroreticuline)

Structure for NP0068983 (1,2-Dehydroreticuline)

3D Structure for NP0068983 (1,2-Dehydroreticuline)