NP-MRD: Showing NP-Card for tris(1-hydroxy-5-methoxy-3-methyl-6-({7-[(1e)-3-methylbuta-1,3-dien-1-yl]-1h-indol-3-yl}methyl)pyrazin-2-one) (NP0160728)

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Record Information

Version

2.0

Created at

2022-09-02 18:44:25 UTC

Updated at

2022-09-02 18:44:25 UTC

NP-MRD ID

NP0160728

Secondary Accession Numbers

None

Natural Product Identification

Common Name

tris(1-hydroxy-5-methoxy-3-methyl-6-({7-[(1e)-3-methylbuta-1,3-dien-1-yl]-1h-indol-3-yl}methyl)pyrazin-2-one)

Description

tris(1-hydroxy-5-methoxy-3-methyl-6-({7-[(1e)-3-methylbuta-1,3-dien-1-yl]-1h-indol-3-yl}methyl)pyrazin-2-one) is found in Aspergillus fumigatus.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022220442D          

 78 84  0  0  0  0            999 V2000
    3.0128    3.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2984    3.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

141147  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309022220442D          

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 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 32 52  2  0  0  0  0
 36 52  1  0  0  0  0
 53 54  2  0  0  0  0
 54 55  1  0  0  0  0
 54 56  1  0  0  0  0
 56 57  2  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  2  0  0  0  0
 60 61  1  0  0  0  0
 61 62  2  0  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 64 65  1  0  0  0  0
 65 66  2  0  0  0  0
 66 67  1  0  0  0  0
 67 68  1  0  0  0  0
 66 69  1  0  0  0  0
 69 70  2  0  0  0  0
 70 71  1  0  0  0  0
 70 72  1  0  0  0  0
 72 73  2  0  0  0  0
 72 74  1  0  0  0  0
 65 74  1  0  0  0  0
 74 75  1  0  0  0  0
 63 76  2  0  0  0  0
 76 77  1  0  0  0  0
 77 78  1  0  0  0  0
 58 78  2  0  0  0  0
 62 78  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0160728

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(CC2=CNC3=C(\C=C\C(C)=C)C=CC=C23)N(O)C(=O)C(C)=N1.COC1=C(CC2=CNC3=C(\C=C\C(C)=C)C=CC=C23)N(O)C(=O)C(C)=N1.COC1=C(CC2=CNC3=C(\C=C\C(C)=C)C=CC=C23)N(O)C(=O)C(C)=N1

> <INCHI_IDENTIFIER>
InChI=1S/3C20H21N3O3/c3*1-12(2)8-9-14-6-5-7-16-15(11-21-18(14)16)10-17-19(26-4)22-13(3)20(24)23(17)25/h3*5-9,11,21,25H,1,10H2,2-4H3/b3*9-8+

> <INCHI_KEY>
UQDYIVCRWIMRGZ-IPLVUKSGSA-N

> <FORMULA>
C60H63N9O9

> <MOLECULAR_WEIGHT>
1054.218

> <EXACT_MASS>
1053.474874645

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
141

> <JCHEM_AVERAGE_POLARIZABILITY>
38.19456614919213

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tris(1-hydroxy-5-methoxy-3-methyl-6-({7-[(1E)-3-methylbuta-1,3-dien-1-yl]-1H-indol-3-yl}methyl)-1,2-dihydropyrazin-2-one)

> <ALOGPS_LOGP>
3.28

> <JCHEM_LOGP>
3.383585514

> <ALOGPS_LOGS>
-4.40

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
15.881947684160167

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.706025451608623

> <JCHEM_PKA_STRONGEST_BASIC>
-4.239543667525856

> <JCHEM_POLAR_SURFACE_AREA>
77.91999999999999

> <JCHEM_REFRACTIVITY>
112.67680000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.40e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tris(1-hydroxy-5-methoxy-3-methyl-6-({7-[(1E)-3-methylbuta-1,3-dien-1-yl]-1H-indol-3-yl}methyl)pyrazin-2-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                                  
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HETATM    2  C   UNK     0       4.290   6.021   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.957   6.791   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.290   4.481   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.957   3.711   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.957   2.171   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.290   1.401   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.290  -0.139   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.957  -0.909   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.623  -0.139   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.158  -0.615   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.318  -2.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.824  -2.400   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.300  -3.865   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -1.269  -5.009   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -1.745  -6.474   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0      -3.806  -4.185   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0      -4.837  -3.040   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -6.343  -3.361   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.361  -1.576   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -5.391  -0.431   0.000  0.00  0.00           O+0
HETATM   22  N   UNK     0      -2.854  -1.256   0.000  0.00  0.00           N+0
HETATM   23  O   UNK     0      -2.379   0.209   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -0.747   0.631   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0       0.158   1.876   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0       1.623   1.401   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      21.991   6.791   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      20.657   6.021   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      19.324   6.791   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      20.657   4.481   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      19.324   3.711   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      19.324   2.171   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      20.657   1.401   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      20.657  -0.139   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      19.324  -0.909   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      17.990  -0.139   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      16.525  -0.615   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      16.049  -2.080   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      14.543  -2.400   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      14.067  -3.865   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      15.098  -5.009   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      14.622  -6.474   0.000  0.00  0.00           C+0
HETATM   43  N   UNK     0      12.561  -4.185   0.000  0.00  0.00           N+0
HETATM   44  C   UNK     0      11.530  -3.040   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      10.024  -3.361   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      12.006  -1.576   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      10.976  -0.431   0.000  0.00  0.00           O+0
HETATM   48  N   UNK     0      13.513  -1.256   0.000  0.00  0.00           N+0
HETATM   49  O   UNK     0      13.988   0.209   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0      15.620   0.631   0.000  0.00  0.00           C+0
HETATM   51  N   UNK     0      16.525   1.876   0.000  0.00  0.00           N+0
HETATM   52  C   UNK     0      17.990   1.401   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       5.624  -9.554   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0       4.290 -10.324   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       2.957  -9.554   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       4.290 -11.864   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0       2.957 -12.634   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0       2.957 -14.174   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0       4.290 -14.944   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0       4.290 -16.484   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0       2.957 -17.254   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0       1.623 -16.484   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0       0.158 -16.960   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      -0.318 -18.424   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0      -1.824 -18.745   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0      -2.300 -20.209   0.000  0.00  0.00           C+0
HETATM   67  O   UNK     0      -1.269 -21.354   0.000  0.00  0.00           O+0
HETATM   68  C   UNK     0      -1.745 -22.818   0.000  0.00  0.00           C+0
HETATM   69  N   UNK     0      -3.806 -20.529   0.000  0.00  0.00           N+0
HETATM   70  C   UNK     0      -4.837 -19.385   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0      -6.343 -19.705   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0      -4.361 -17.920   0.000  0.00  0.00           C+0
HETATM   73  O   UNK     0      -5.391 -16.776   0.000  0.00  0.00           O+0
HETATM   74  N   UNK     0      -2.854 -17.600   0.000  0.00  0.00           N+0
HETATM   75  O   UNK     0      -2.379 -16.135   0.000  0.00  0.00           O+0
HETATM   76  C   UNK     0      -0.747 -15.714   0.000  0.00  0.00           C+0
HETATM   77  N   UNK     0       0.158 -14.468   0.000  0.00  0.00           N+0
HETATM   78  C   UNK     0       1.623 -14.944   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   26                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   26                                                  
CONECT   11   10   12   24                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   22                                                  
CONECT   14   13   15   17                                                  
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17   14   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   13   23                                                  
CONECT   23   22                                                            
CONECT   24   11   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25    6   10                                                  
CONECT   27   28                                                            
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   52                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   52                                                  
CONECT   37   36   38   50                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40   48                                                  
CONECT   40   39   41   43                                                  
CONECT   41   40   42                                                       
CONECT   42   41                                                            
CONECT   43   40   44                                                       
CONECT   44   43   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46   39   49                                                  
CONECT   49   48                                                            
CONECT   50   37   51                                                       
CONECT   51   50   52                                                       
CONECT   52   51   32   36                                                  
CONECT   53   54                                                            
CONECT   54   53   55   56                                                  
CONECT   55   54                                                            
CONECT   56   54   57                                                       
CONECT   57   56   58                                                       
CONECT   58   57   59   78                                                  
CONECT   59   58   60                                                       
CONECT   60   59   61                                                       
CONECT   61   60   62                                                       
CONECT   62   61   63   78                                                  
CONECT   63   62   64   76                                                  
CONECT   64   63   65                                                       
CONECT   65   64   66   74                                                  
CONECT   66   65   67   69                                                  
CONECT   67   66   68                                                       
CONECT   68   67                                                            
CONECT   69   66   70                                                       
CONECT   70   69   71   72                                                  
CONECT   71   70                                                            
CONECT   72   70   73   74                                                  
CONECT   73   72                                                            
CONECT   74   72   65   75                                                  
CONECT   75   74                                                            
CONECT   76   63   77                                                       
CONECT   77   76   78                                                       
CONECT   78   77   58   62                                                  
MASTER        0    0    0    0    0    0    0    0   78    0  168    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₆₀H₆₃N₉O₉

Average Mass

1054.2180 Da

Monoisotopic Mass

1053.47487 Da

IUPAC Name

tris(1-hydroxy-5-methoxy-3-methyl-6-({7-[(1E)-3-methylbuta-1,3-dien-1-yl]-1H-indol-3-yl}methyl)-1,2-dihydropyrazin-2-one)

Traditional Name

tris(1-hydroxy-5-methoxy-3-methyl-6-({7-[(1E)-3-methylbuta-1,3-dien-1-yl]-1H-indol-3-yl}methyl)pyrazin-2-one)

CAS Registry Number

Not Available

SMILES

COC1=C(CC2=CNC3=C(\C=C\C(C)=C)C=CC=C23)N(O)C(=O)C(C)=N1.COC1=C(CC2=CNC3=C(\C=C\C(C)=C)C=CC=C23)N(O)C(=O)C(C)=N1.COC1=C(CC2=CNC3=C(\C=C\C(C)=C)C=CC=C23)N(O)C(=O)C(C)=N1

InChI Identifier

InChI=1S/3C20H21N3O3/c3*1-12(2)8-9-14-6-5-7-16-15(11-21-18(14)16)10-17-19(26-4)22-13(3)20(24)23(17)25/h3*5-9,11,21,25H,1,10H2,2-4H3/b3*9-8+

InChI Key

UQDYIVCRWIMRGZ-IPLVUKSGSA-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
Aspergillus fumigatus	LOTUS Database	35616633

Chemical Taxonomy

Classification

Not classified

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	3.28	ALOGPS
logP	3.38	ChemAxon
logS	-4.4	ALOGPS
pKa (Strongest Acidic)	5.71	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	77.92 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	112.68 m³·mol⁻¹	ChemAxon
Polarizability	38.19 Å³	ChemAxon
Number of Rings	9	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for tris(1-hydroxy-5-methoxy-3-methyl-6-({7-[(1e)-3-methylbuta-1,3-dien-1-yl]-1h-indol-3-yl}methyl)pyrazin-2-one) (NP0160728)

MOL for NP0160728 (tris(1-hydroxy-5-methoxy-3-methyl-6-({7-[(1e)-3-methylbuta-1,3-dien-1-yl]-1h-indol-3-yl}methyl)pyrazin-2-one))

3D MOL for NP0160728 (tris(1-hydroxy-5-methoxy-3-methyl-6-({7-[(1e)-3-methylbuta-1,3-dien-1-yl]-1h-indol-3-yl}methyl)pyrazin-2-one))

3D SDF for NP0160728 (tris(1-hydroxy-5-methoxy-3-methyl-6-({7-[(1e)-3-methylbuta-1,3-dien-1-yl]-1h-indol-3-yl}methyl)pyrazin-2-one))

3D-SDF for NP0160728 (tris(1-hydroxy-5-methoxy-3-methyl-6-({7-[(1e)-3-methylbuta-1,3-dien-1-yl]-1h-indol-3-yl}methyl)pyrazin-2-one))

PDB for NP0160728 (tris(1-hydroxy-5-methoxy-3-methyl-6-({7-[(1e)-3-methylbuta-1,3-dien-1-yl]-1h-indol-3-yl}methyl)pyrazin-2-one))

3D PDB for NP0160728 (tris(1-hydroxy-5-methoxy-3-methyl-6-({7-[(1e)-3-methylbuta-1,3-dien-1-yl]-1h-indol-3-yl}methyl)pyrazin-2-one))

SMILES for NP0160728 (tris(1-hydroxy-5-methoxy-3-methyl-6-({7-[(1e)-3-methylbuta-1,3-dien-1-yl]-1h-indol-3-yl}methyl)pyrazin-2-one))

INCHI for NP0160728 (tris(1-hydroxy-5-methoxy-3-methyl-6-({7-[(1e)-3-methylbuta-1,3-dien-1-yl]-1h-indol-3-yl}methyl)pyrazin-2-one))

Structure for NP0160728 (tris(1-hydroxy-5-methoxy-3-methyl-6-({7-[(1e)-3-methylbuta-1,3-dien-1-yl]-1h-indol-3-yl}methyl)pyrazin-2-one))

3D Structure for NP0160728 (tris(1-hydroxy-5-methoxy-3-methyl-6-({7-[(1e)-3-methylbuta-1,3-dien-1-yl]-1h-indol-3-yl}methyl)pyrazin-2-one))