NP-MRD: Showing NP-Card for tris(1-hydroxy-5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}pyrazin-2-one) (NP0200779)

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Record Information

Version

2.0

Created at

2022-09-04 19:41:39 UTC

Updated at

2022-09-04 19:41:39 UTC

NP-MRD ID

NP0200779

Secondary Accession Numbers

None

Natural Product Identification

Common Name

tris(1-hydroxy-5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}pyrazin-2-one)

Description

Tris(1-hydroxy-5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-1,2-dihydropyrazin-2-one) belongs to the class of organic compounds known as 3-alkylindoles. 3-Alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. Based on a literature review very few articles have been published on tris(1-hydroxy-5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-1,2-dihydropyrazin-2-one).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042221412D          

 78 84  0  0  0  0            999 V2000
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M  END

     RDKit          3D

147153  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309042221412D          

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 25 26  2  0  0  0  0
 13 26  1  0  0  0  0
 16 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 29 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 43 49  1  0  0  0  0
 49 50  2  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 39 52  1  0  0  0  0
 42 52  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  2  0  0  0  0
 57 58  1  0  0  0  0
 57 59  1  0  0  0  0
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 59 61  1  0  0  0  0
 61 62  1  0  0  0  0
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 55 63  2  0  0  0  0
 63 64  1  0  0  0  0
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 65 66  2  0  0  0  0
 66 67  1  0  0  0  0
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 68 69  2  0  0  0  0
 69 70  1  0  0  0  0
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 71 72  2  0  0  0  0
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 72 74  1  0  0  0  0
 69 75  1  0  0  0  0
 75 76  2  0  0  0  0
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 77 78  2  0  0  0  0
 65 78  1  0  0  0  0
 68 78  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0200779

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/3C20H23N3O3/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*5-8,11,21,25H,9-10H2,1-4H3

> <INCHI_KEY>
FFZHRKWHOSWIRV-UHFFFAOYSA-N

> <FORMULA>
C60H69N9O9

> <MOLECULAR_WEIGHT>
1060.266

> <EXACT_MASS>
1059.521824838

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
147

> <JCHEM_AVERAGE_POLARIZABILITY>
37.86926671834986

> <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-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-1,2-dihydropyrazin-2-one)

> <JCHEM_LOGP>
3.6048735003333325

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
15.887122094797881

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.706025456305991

> <JCHEM_PKA_STRONGEST_BASIC>
-4.222618110228642

> <JCHEM_POLAR_SURFACE_AREA>
77.91999999999999

> <JCHEM_REFRACTIVITY>
112.6327

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
tris(1-hydroxy-5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrazin-2-one)

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       0.571  -4.758   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -0.935  -5.078   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.966  -3.933   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0      -3.472  -4.254   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      -4.503  -3.109   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -6.009  -3.429   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.027  -1.645   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -5.057  -0.500   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0      -2.520  -1.324   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0      -2.044   0.140   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -1.490  -2.469   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.017  -2.149   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.492  -0.684   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.413   0.562   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       0.492   1.808   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       1.957   1.332   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.291   2.102   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.291   3.642   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.957   4.412   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.957   5.952   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.623   6.722   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.291   6.722   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.624   1.332   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.624  -0.208   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.291  -0.978   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.957  -0.208   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      15.604  -4.758   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      14.098  -5.078   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      13.068  -3.933   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0      11.561  -4.254   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0      10.531  -3.109   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       9.024  -3.429   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      11.007  -1.645   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       9.976  -0.500   0.000  0.00  0.00           O+0
HETATM   35  N   UNK     0      12.513  -1.324   0.000  0.00  0.00           N+0
HETATM   36  O   UNK     0      12.989   0.140   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      13.543  -2.469   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      15.050  -2.149   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      15.526  -0.684   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      14.620   0.562   0.000  0.00  0.00           C+0
HETATM   41  N   UNK     0      15.526   1.808   0.000  0.00  0.00           N+0
HETATM   42  C   UNK     0      16.990   1.332   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      18.324   2.102   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      18.324   3.642   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      16.990   4.412   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      16.990   5.952   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      15.657   6.722   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      18.324   6.722   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      19.658   1.332   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      19.658  -0.208   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      18.324  -0.978   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      16.990  -0.208   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       0.571 -19.637   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0      -0.935 -19.958   0.000  0.00  0.00           O+0
HETATM   55  C   UNK     0      -1.966 -18.813   0.000  0.00  0.00           C+0
HETATM   56  N   UNK     0      -3.472 -19.133   0.000  0.00  0.00           N+0
HETATM   57  C   UNK     0      -4.503 -17.989   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      -6.009 -18.309   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      -4.027 -16.524   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0      -5.057 -15.380   0.000  0.00  0.00           O+0
HETATM   61  N   UNK     0      -2.520 -16.204   0.000  0.00  0.00           N+0
HETATM   62  O   UNK     0      -2.044 -14.739   0.000  0.00  0.00           O+0
HETATM   63  C   UNK     0      -1.490 -17.349   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0       0.017 -17.028   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0       0.492 -15.564   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0      -0.413 -14.318   0.000  0.00  0.00           C+0
HETATM   67  N   UNK     0       0.492 -13.072   0.000  0.00  0.00           N+0
HETATM   68  C   UNK     0       1.957 -13.548   0.000  0.00  0.00           C+0
HETATM   69  C   UNK     0       3.291 -12.778   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0       3.291 -11.238   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0       1.957 -10.468   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0       1.957  -8.928   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0       0.623  -8.158   0.000  0.00  0.00           C+0
HETATM   74  C   UNK     0       3.291  -8.158   0.000  0.00  0.00           C+0
HETATM   75  C   UNK     0       4.624 -13.548   0.000  0.00  0.00           C+0
HETATM   76  C   UNK     0       4.624 -15.088   0.000  0.00  0.00           C+0
HETATM   77  C   UNK     0       3.291 -15.858   0.000  0.00  0.00           C+0
HETATM   78  C   UNK     0       1.957 -15.088   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   11                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9    3   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   26                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   26                                                  
CONECT   17   16   18   23                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   17   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   13   16                                                  
CONECT   27   28                                                            
CONECT   28   27   29                                                       
CONECT   29   28   30   37                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   29   38                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40   52                                                  
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43   52                                                  
CONECT   43   42   44   49                                                  
CONECT   44   43   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46                                                            
CONECT   49   43   50                                                       
CONECT   50   49   51                                                       
CONECT   51   50   52                                                       
CONECT   52   51   39   42                                                  
CONECT   53   54                                                            
CONECT   54   53   55                                                       
CONECT   55   54   56   63                                                  
CONECT   56   55   57                                                       
CONECT   57   56   58   59                                                  
CONECT   58   57                                                            
CONECT   59   57   60   61                                                  
CONECT   60   59                                                            
CONECT   61   59   62   63                                                  
CONECT   62   61                                                            
CONECT   63   61   55   64                                                  
CONECT   64   63   65                                                       
CONECT   65   64   66   78                                                  
CONECT   66   65   67                                                       
CONECT   67   66   68                                                       
CONECT   68   67   69   78                                                  
CONECT   69   68   70   75                                                  
CONECT   70   69   71                                                       
CONECT   71   70   72                                                       
CONECT   72   71   73   74                                                  
CONECT   73   72                                                            
CONECT   74   72                                                            
CONECT   75   69   76                                                       
CONECT   76   75   77                                                       
CONECT   77   76   78                                                       
CONECT   78   77   65   68                                                  
MASTER        0    0    0    0    0    0    0    0   78    0  168    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₆₀H₆₉N₉O₉

Average Mass

1060.2660 Da

Monoisotopic Mass

1059.52182 Da

IUPAC Name

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

Traditional Name

tris(1-hydroxy-5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrazin-2-one)

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/3C20H23N3O3/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*5-8,11,21,25H,9-10H2,1-4H3

InChI Key

FFZHRKWHOSWIRV-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 3-alkylindoles. 3-Alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Indoles

Direct Parent

3-alkylindoles

Alternative Parents

Substituents

3-alkylindole
Methoxypyrazine
Alkyl aryl ether
Benzenoid
Substituted pyrrole
Pyrazine
Heteroaromatic compound
Pyrrole
Lactam
Azacycle
Ether
Organic nitrogen compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Not Available

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	3.6	ChemAxon
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	112.63 m³·mol⁻¹	ChemAxon
Polarizability	37.87 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

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

163192790

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for tris(1-hydroxy-5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}pyrazin-2-one) (NP0200779)

MOL for NP0200779 (tris(1-hydroxy-5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}pyrazin-2-one))

3D MOL for NP0200779 (tris(1-hydroxy-5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}pyrazin-2-one))

3D SDF for NP0200779 (tris(1-hydroxy-5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}pyrazin-2-one))

3D-SDF for NP0200779 (tris(1-hydroxy-5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}pyrazin-2-one))

PDB for NP0200779 (tris(1-hydroxy-5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}pyrazin-2-one))

3D PDB for NP0200779 (tris(1-hydroxy-5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}pyrazin-2-one))

SMILES for NP0200779 (tris(1-hydroxy-5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}pyrazin-2-one))

INCHI for NP0200779 (tris(1-hydroxy-5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}pyrazin-2-one))

Structure for NP0200779 (tris(1-hydroxy-5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}pyrazin-2-one))

3D Structure for NP0200779 (tris(1-hydroxy-5-methoxy-3-methyl-6-{[7-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}pyrazin-2-one))