NP-MRD: Showing NP-Card for 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1h-isoquinoline (NP0266693)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-08 11:07:08 UTC

Updated at

2022-09-08 11:07:08 UTC

NP-MRD ID

NP0266693

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1h-isoquinoline

Description

(+)-O-Methylarmepavine, also known as CSH-068, belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached (+)-O-Methylarmepavine is a very strong basic compound (based on its pKa). Outside of the human body, (+)-O-Methylarmepavine has been detected, but not quantified in, fruits. 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1h-isoquinoline is found in Magnolia compressa and Xylopia parviflora. This could make (+)-O-methylarmepavine a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 49 51  0  0  0  0  0  0  0  0999 V2000
    6.9893    1.0100    1.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375    0.3062    2.0921 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8619   -0.0138    1.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9714   -0.7096    2.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6972   -1.0342    2.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2638   -0.6715    0.8077 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8953   -1.0136    0.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0760    0.0702    0.6924 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4416   -0.1919    0.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8011   -1.3791   -0.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0865   -1.5123   -0.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5060   -2.6925   -1.4847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6539   -3.7878   -1.6336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9726   -0.4434   -0.7629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2573   -0.6392   -1.2555 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2244    0.3903   -1.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6272    0.7522   -0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3240    0.8879    0.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8734    2.1456    0.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4411    2.4288    0.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2990    1.3497    0.0703 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1319    1.3146   -1.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1654    0.0147    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4263    0.3394    0.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7077    2.0778    1.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9770    0.4669    0.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0193    0.9338    1.6347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3173   -0.9929    3.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0734   -1.5695    2.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9379   -1.1430   -0.7788 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6419   -1.9909    0.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1244    0.1687    1.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0639   -2.1603   -0.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0591   -3.6855   -2.5749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2803   -4.7123   -1.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0154   -3.9561   -0.7449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0035    1.1243   -1.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2697    0.8280   -0.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2409   -0.0524   -1.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3113    1.5857   -0.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5565    2.9742    0.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9515    1.9597    2.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4277    3.2585   -0.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1045    2.8454    1.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1828    0.2892   -1.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0103    1.6761   -1.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7209    1.9731   -1.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8135    0.2947   -0.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0512    0.8862   -0.2903 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 21  1  0
 21 22  1  0
 21 20  1  0
 20 19  1  0
 19 18  1  0
 18 17  2  0
 17 14  1  0
 14 15  1  0
 15 16  1  0
 14 11  2  0
 11 12  1  0
 12 13  1  0
 11 10  1  0
 10  9  2  0
  6 23  1  0
 23 24  2  0
 24  3  1  0
  9  8  1  0
  9 18  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
  8 32  1  1
 22 45  1  0
 22 46  1  0
 22 47  1  0
 20 43  1  0
 20 44  1  0
 19 41  1  0
 19 42  1  0
 17 40  1  0
 16 37  1  0
 16 38  1  0
 16 39  1  0
 13 34  1  0
 13 35  1  0
 13 36  1  0
 10 33  1  0
 23 48  1  0
 24 49  1  0
M  END


  Mrv0541 05061305112D          

 24 26  0  0  0  0            999 V2000
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   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
    5.0013   -1.2375    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   -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   -4.1250    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
    0.7145   -0.4125    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
    2.8579    0.0000    0.0000 C   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
    0.7145   -2.8875    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
   -0.7145   -3.7125    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
    3.5724   -0.4125    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
    0.7145   -1.2375    0.0000 N   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
    4.2868    0.0000    0.0000 O   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
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
 10  9  1  0  0  0  0
 14  5  2  0  0  0  0
 14  6  1  0  0  0  0
 14 11  1  0  0  0  0
 15  9  1  0  0  0  0
 15 12  2  0  0  0  0
 16  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17 13  2  0  0  0  0
 17 15  1  0  0  0  0
 18 11  1  0  0  0  0
 18 17  1  0  0  0  0
 19 12  1  0  0  0  0
 20 13  1  0  0  0  0
 20 19  2  0  0  0  0
 21  1  1  0  0  0  0
 21 10  1  0  0  0  0
 21 18  1  0  0  0  0
 22  2  1  0  0  0  0
 22 16  1  0  0  0  0
 23  3  1  0  0  0  0
 23 19  1  0  0  0  0
 24  4  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0266693

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(CC2N(C)CCC3=CC(OC)=C(OC)C=C23)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C20H25NO3/c1-21-10-9-15-12-19(23-3)20(24-4)13-17(15)18(21)11-14-5-7-16(22-2)8-6-14/h5-8,12-13,18H,9-11H2,1-4H3

> <INCHI_KEY>
LZJWNVLTWYMMDJ-UHFFFAOYSA-N

> <FORMULA>
C20H25NO3

> <MOLECULAR_WEIGHT>
327.4174

> <EXACT_MASS>
327.183443671

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
37.1024615314075

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroisoquinoline

> <ALOGPS_LOGP>
3.18

> <JCHEM_LOGP>
3.5544186846666666

> <ALOGPS_LOGS>
-4.16

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.35948140815216

> <JCHEM_POLAR_SURFACE_AREA>
30.930000000000003

> <JCHEM_REFRACTIVITY>
96.33769999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.27e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.336  -2.310   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  -6.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.334  -6.930   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  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0       1.334  -2.310   0.000  0.00  0.00           N+0
HETATM   22  O   UNK     0      -2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       8.002   0.000   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
CONECT    1   21                                                            
CONECT    2   22                                                            
CONECT    3   23                                                            
CONECT    4   24                                                            
CONECT    5    7   14                                                       
CONECT    6    8   14                                                       
CONECT    7    5   16                                                       
CONECT    8    6   16                                                       
CONECT    9   10   15                                                       
CONECT   10    9   21                                                       
CONECT   11   14   18                                                       
CONECT   12   15   19                                                       
CONECT   13   17   20                                                       
CONECT   14    5    6   11                                                  
CONECT   15    9   12   17                                                  
CONECT   16    7    8   22                                                  
CONECT   17   13   15   18                                                  
CONECT   18   11   17   21                                                  
CONECT   19   12   20   23                                                  
CONECT   20   13   19   24                                                  
CONECT   21    1   10   18                                                  
CONECT   22    2   16                                                       
CONECT   23    3   19                                                       
CONECT   24    4   20                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Value	Source
712-Oo'-dimethyl-N-methylcoclaurine	HMDB
CSH-068	HMDB
CSH 068	HMDB
O-Methylarmepavine	MeSH

Chemical Formula

C₂₀H₂₅NO₃

Average Mass

327.4174 Da

Monoisotopic Mass

327.18344 Da

IUPAC Name

6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroisoquinoline

Traditional Name

6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline

CAS Registry Number

Not Available

SMILES

COC1=CC=C(CC2N(C)CCC3=CC(OC)=C(OC)C=C23)C=C1

InChI Identifier

InChI=1S/C20H25NO3/c1-21-10-9-15-12-19(23-3)20(24-4)13-17(15)18(21)11-14-5-7-16(22-2)8-6-14/h5-8,12-13,18H,9-11H2,1-4H3

InChI Key

LZJWNVLTWYMMDJ-UHFFFAOYSA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Michelia compressa	LOTUS Database	35616633
Xylopia parviflora	LOTUS Database	35616633

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
Phenoxy compound
Anisole
Phenol ether
Methoxybenzene
Aralkylamine
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Tertiary amine
Tertiary aliphatic amine
Azacycle
Ether
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Hydrocarbon derivative
Organopnictogen compound
Organic oxygen 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	3.18	ALOGPS
logP	3.55	ChemAxon
logS	-4.2	ALOGPS
pKa (Strongest Basic)	8.36	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	30.93 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	96.34 m³·mol⁻¹	ChemAxon
Polarizability	37.1 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0030355

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB002200

KNApSAcK ID

Not Available

Chemspider ID

227919

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

259676

PDB ID

Not Available

ChEBI ID

545154

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1h-isoquinoline (NP0266693)

MOL for NP0266693 (6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1h-isoquinoline)

3D MOL for NP0266693 (6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1h-isoquinoline)

3D SDF for NP0266693 (6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1h-isoquinoline)

3D-SDF for NP0266693 (6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1h-isoquinoline)

PDB for NP0266693 (6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1h-isoquinoline)

3D PDB for NP0266693 (6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1h-isoquinoline)

SMILES for NP0266693 (6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1h-isoquinoline)

INCHI for NP0266693 (6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1h-isoquinoline)

Structure for NP0266693 (6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1h-isoquinoline)

3D Structure for NP0266693 (6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1h-isoquinoline)