NP-MRD: Showing NP-Card for (3r)-5-{4'-[(1r,3r)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-[2,2'-binaphthalen]-4-yl}-8-methoxy-1,3-dimethyl-3,4-dihydro-2h-isoquinolin-6-one (NP0159534)

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Record Information

Version

2.0

Created at

2022-09-02 17:18:13 UTC

Updated at

2022-09-02 17:18:14 UTC

NP-MRD ID

NP0159534

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3r)-5-{4'-[(1r,3r)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-[2,2'-binaphthalen]-4-yl}-8-methoxy-1,3-dimethyl-3,4-dihydro-2h-isoquinolin-6-one

Description

DTXSID30940788 belongs to the class of organic compounds known as naphthylisoquinolines. These are polycyclic aromatic compounds containing a naphthalene moiety linked to an isoquinoline through a CC or CN single bond. (3r)-5-{4'-[(1r,3r)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-[2,2'-binaphthalen]-4-yl}-8-methoxy-1,3-dimethyl-3,4-dihydro-2h-isoquinolin-6-one is found in Ancistrocladus korupensis. Based on a literature review very few articles have been published on DTXSID30940788.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022219182D          

 57 64  0  0  1  0            999 V2000
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  1  2  1  0  0  0  0
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M  END

     RDKit          3D

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    8.3042    0.4571    3.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
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 27 77  1  0
M  END


  Mrv1652309022219182D          

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    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  2  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 11 12  2  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 25 26  1  0  0  0  0
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 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 36  1  0  0  0  0
 28 36  1  0  0  0  0
 36 37  2  0  0  0  0
 11 37  1  0  0  0  0
 37 38  1  0  0  0  0
 10 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 42 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  2  0  0  0  0
 48 49  1  0  0  0  0
  8 49  2  0  0  0  0
 41 49  1  0  0  0  0
  7 50  2  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  1  0  0  0
 52 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 55 57  2  0  0  0  0
  3 57  1  0  0  0  0
 50 57  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0159534

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(C)=CC2=C(C=C(C(O)=C12)C1=CC(=C2C=C(C)C=C(OC)C2=C1O)C1=C2C[C@@H](C)NC(C)=C2C(OC)=CC1=O)C1=C(O)C=C(O)C2=C1C[C@@H](C)N[C@@H]2C

> <INCHI_IDENTIFIER>
InChI=1S/C47H48N2O8/c1-20-10-26-28(42-32-14-22(3)48-24(5)40(32)34(50)18-35(42)51)16-30(46(53)44(26)37(12-20)55-7)31-17-29(27-11-21(2)13-38(56-8)45(27)47(31)54)43-33-15-23(4)49-25(6)41(33)39(57-9)19-36(43)52/h10-13,16-19,22-24,48-51,53-54H,14-15H2,1-9H3/t22-,23-,24-/m1/s1

> <INCHI_KEY>
CPBMKCLMBAJARI-WXFUMESZSA-N

> <FORMULA>
C47H48N2O8

> <MOLECULAR_WEIGHT>
768.907

> <EXACT_MASS>
768.341066514

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
105

> <JCHEM_AVERAGE_POLARIZABILITY>
86.3275016245886

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3R)-5-{4'-[(1R,3R)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-[2,2'-binaphthalene]-4-yl}-8-methoxy-1,3-dimethyl-2,3,4,6-tetrahydroisoquinolin-6-one

> <ALOGPS_LOGP>
6.00

> <JCHEM_LOGP>
5.829082975872478

> <ALOGPS_LOGS>
-5.67

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
8.264296108817518

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.669829531114095

> <JCHEM_PKA_STRONGEST_BASIC>
10.441191115493615

> <JCHEM_POLAR_SURFACE_AREA>
149.74

> <JCHEM_REFRACTIVITY>
226.55420000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.66e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3R)-5-{4'-[(1R,3R)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-[2,2'-binaphthalene]-4-yl}-8-methoxy-1,3-dimethyl-3,4-dihydro-2H-isoquinolin-6-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -0.000   4.620   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -0.000   6.160   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334   8.470   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -2.667   9.240   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -0.000   9.240   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.000  10.780   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334  11.550   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334  13.090   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.667  13.860   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.001  13.090   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.335  13.860   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -6.668  13.090   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -8.002  13.860   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -8.002  15.400   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -9.336  13.090   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -9.336  11.550   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0     -10.669  10.780   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -8.002  10.780   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -6.668  11.550   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -5.335  10.780   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -5.335   9.240   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -4.001   8.470   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0      -6.668   8.470   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0      -8.002   9.240   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -9.336   8.470   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -5.335  15.400   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -6.668  16.170   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -6.668  17.710   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -8.002  18.480   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -5.335  18.480   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -4.001  17.710   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -2.667  18.480   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -1.334  17.710   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -4.001  16.170   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -2.667  15.400   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -1.334  16.170   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      -0.000  13.860   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -0.000  15.400   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       1.334  13.090   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       2.667  13.860   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       2.667  15.400   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       4.001  16.170   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       4.001  13.090   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       4.001  11.550   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       5.335  10.780   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       2.667  10.780   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       1.334  11.550   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       1.334   8.470   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       2.667   9.240   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       4.001   8.470   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       5.335   9.240   0.000  0.00  0.00           C+0
HETATM   54  N   UNK     0       4.001   6.930   0.000  0.00  0.00           N+0
HETATM   55  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   57                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   50                                                  
CONECT    8    7    9   49                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   39                                                  
CONECT   11   10   12   37                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   28                                                  
CONECT   14   13   15   21                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   26                                                  
CONECT   21   20   14   22                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   20   27                                                  
CONECT   27   26                                                            
CONECT   28   13   29   36                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   34   36                                                  
CONECT   34   33   35                                                       
CONECT   35   34                                                            
CONECT   36   33   28   37                                                  
CONECT   37   36   11   38                                                  
CONECT   38   37                                                            
CONECT   39   10   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42   49                                                  
CONECT   42   41   43   45                                                  
CONECT   43   42   44                                                       
CONECT   44   43                                                            
CONECT   45   42   46                                                       
CONECT   46   45   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46   49                                                       
CONECT   49   48    8   41                                                  
CONECT   50    7   51   57                                                  
CONECT   51   50   52                                                       
CONECT   52   51   53   54                                                  
CONECT   53   52                                                            
CONECT   54   52   55                                                       
CONECT   55   54   56   57                                                  
CONECT   56   55                                                            
CONECT   57   55    3   50                                                  
MASTER        0    0    0    0    0    0    0    0   57    0  128    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₇H₄₈N₂O₈

Average Mass

768.9070 Da

Monoisotopic Mass

768.34107 Da

IUPAC Name

(3R)-5-{4'-[(1R,3R)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-[2,2'-binaphthalene]-4-yl}-8-methoxy-1,3-dimethyl-2,3,4,6-tetrahydroisoquinolin-6-one

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1=CC(C)=CC2=C(C=C(C(O)=C12)C1=CC(=C2C=C(C)C=C(OC)C2=C1O)C1=C2C[C@@H](C)NC(C)=C2C(OC)=CC1=O)C1=C(O)C=C(O)C2=C1C[C@@H](C)N[C@@H]2C

InChI Identifier

InChI=1S/C47H48N2O8/c1-20-10-26-28(42-32-14-22(3)48-24(5)40(32)34(50)18-35(42)51)16-30(46(53)44(26)37(12-20)55-7)31-17-29(27-11-21(2)13-38(56-8)45(27)47(31)54)43-33-15-23(4)49-25(6)41(33)39(57-9)19-36(43)52/h10-13,16-19,22-24,48-51,53-54H,14-15H2,1-9H3/t22-,23-,24-/m1/s1

InChI Key

CPBMKCLMBAJARI-WXFUMESZSA-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
Ancistrocladus korupensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthylisoquinolines. These are polycyclic aromatic compounds containing a naphthalene moiety linked to an isoquinoline through a CC or CN single bond.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Sub Class

Naphthylisoquinolines

Direct Parent

Naphthylisoquinolines

Alternative Parents

Substituents

Naphthylisoquinoline
Biphenol
1-naphthol
Isoquinolone
Naphthalene
Tetrahydroisoquinoline
Phenol ether
Anisole
Aralkylamine
Tetrahydropyridine
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Benzenoid
Vinylogous ester
Cyclic ketone
Ketone
Secondary aliphatic amine
Enamine
Ether
Azacycle
Secondary amine
Organic oxygen compound
Amine
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organonitrogen compound
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	6	ALOGPS
logP	5.83	ChemAxon
logS	-5.7	ALOGPS
pKa (Strongest Acidic)	7.67	ChemAxon
pKa (Strongest Basic)	10.44	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	149.74 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	226.55 m³·mol⁻¹	ChemAxon
Polarizability	86.33 Å³	ChemAxon
Number of Rings	8	ChemAxon
Rule of Five	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

4580230

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5469775

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3r)-5-{4'-[(1r,3r)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-[2,2'-binaphthalen]-4-yl}-8-methoxy-1,3-dimethyl-3,4-dihydro-2h-isoquinolin-6-one (NP0159534)

MOL for NP0159534 ((3r)-5-{4'-[(1r,3r)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-[2,2'-binaphthalen]-4-yl}-8-methoxy-1,3-dimethyl-3,4-dihydro-2h-isoquinolin-6-one)

3D MOL for NP0159534 ((3r)-5-{4'-[(1r,3r)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-[2,2'-binaphthalen]-4-yl}-8-methoxy-1,3-dimethyl-3,4-dihydro-2h-isoquinolin-6-one)

3D SDF for NP0159534 ((3r)-5-{4'-[(1r,3r)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-[2,2'-binaphthalen]-4-yl}-8-methoxy-1,3-dimethyl-3,4-dihydro-2h-isoquinolin-6-one)

3D-SDF for NP0159534 ((3r)-5-{4'-[(1r,3r)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-[2,2'-binaphthalen]-4-yl}-8-methoxy-1,3-dimethyl-3,4-dihydro-2h-isoquinolin-6-one)

PDB for NP0159534 ((3r)-5-{4'-[(1r,3r)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-[2,2'-binaphthalen]-4-yl}-8-methoxy-1,3-dimethyl-3,4-dihydro-2h-isoquinolin-6-one)

3D PDB for NP0159534 ((3r)-5-{4'-[(1r,3r)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-[2,2'-binaphthalen]-4-yl}-8-methoxy-1,3-dimethyl-3,4-dihydro-2h-isoquinolin-6-one)

SMILES for NP0159534 ((3r)-5-{4'-[(1r,3r)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-[2,2'-binaphthalen]-4-yl}-8-methoxy-1,3-dimethyl-3,4-dihydro-2h-isoquinolin-6-one)

INCHI for NP0159534 ((3r)-5-{4'-[(1r,3r)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-[2,2'-binaphthalen]-4-yl}-8-methoxy-1,3-dimethyl-3,4-dihydro-2h-isoquinolin-6-one)

Structure for NP0159534 ((3r)-5-{4'-[(1r,3r)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-[2,2'-binaphthalen]-4-yl}-8-methoxy-1,3-dimethyl-3,4-dihydro-2h-isoquinolin-6-one)

3D Structure for NP0159534 ((3r)-5-{4'-[(1r,3r)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl-[2,2'-binaphthalen]-4-yl}-8-methoxy-1,3-dimethyl-3,4-dihydro-2h-isoquinolin-6-one)