NP-MRD: Showing NP-Card for 4-{[2,3,10,11-tetrakis(acetyloxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphen-5-yl]methyl}phenyl acetate (NP0320270)

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Record Information

Version

2.0

Created at

2022-09-11 21:49:36 UTC

Updated at

2022-09-11 21:49:37 UTC

NP-MRD ID

NP0320270

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-{[2,3,10,11-tetrakis(acetyloxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphen-5-yl]methyl}phenyl acetate

Description

4-{[2,3,10,11-Tetrakis(acetyloxy)-7,8,12b,13-tetrahydro-5H-6-azatetraphen-5-yl]methyl}phenyl acetate belongs to the class of organic compounds known as protoberberine alkaloids and derivatives. These are alkaloids with a structure based on a protoberberine moiety, which consists of a 5,6-dihydrodibenzene moiety fused to a quinolizinium and forming 5,6-Dihydrodibenzo(a,g)quinolizinium skeleton. 4-{[2,3,10,11-tetrakis(acetyloxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphen-5-yl]methyl}phenyl acetate is found in Gnetum parvifolium and Talinum paniculatum. 4-{[2,3,10,11-Tetrakis(acetyloxy)-7,8,12b,13-tetrahydro-5H-6-azatetraphen-5-yl]methyl}phenyl acetate is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171521232D          

 45 49  0  0  0  0            999 V2000
    3.9550    6.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4149    5.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048    5.8694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6850    4.9339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4149    3.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    2.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0647    3.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7946    1.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2251    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0352    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3052    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 44  1  0  0  0  0
 44 45  2  0  0  0  0
  5 45  1  0  0  0  0
M  END

     RDKit          3D

 78 82  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1533004171521232D          

 45 49  0  0  0  0            999 V2000
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    5.0352   -1.1466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8453   -1.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3854   -0.6789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1154   -2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6850    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    0.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3347    0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9845   -0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1744   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3657   -0.8348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0957   -1.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.7702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6358   -2.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0957    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9058    0.7243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4459    0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1758   -0.6789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2560    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4444    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7946    3.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3347    4.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 16 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  2  0  0  0  0
 14 27  1  0  0  0  0
 27 28  1  0  0  0  0
 11 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
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 32 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
 39 41  1  0  0  0  0
 37 42  1  0  0  0  0
 42 43  2  0  0  0  0
 10 43  1  0  0  0  0
 30 43  1  0  0  0  0
  8 44  1  0  0  0  0
 44 45  2  0  0  0  0
  5 45  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0320270

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)OC1=CC=C(CC2N3CCC4=CC(OC(C)=O)=C(OC(C)=O)C=C4C3CC3=CC(OC(C)=O)=C(OC(C)=O)C=C23)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C34H33NO10/c1-18(36)41-26-8-6-23(7-9-26)12-29-28-17-34(45-22(5)40)32(43-20(3)38)15-25(28)13-30-27-16-33(44-21(4)39)31(42-19(2)37)14-24(27)10-11-35(29)30/h6-9,14-17,29-30H,10-13H2,1-5H3

> <INCHI_KEY>
GFABDGCNJRHKIB-UHFFFAOYSA-N

> <FORMULA>
C34H33NO10

> <MOLECULAR_WEIGHT>
615.635

> <EXACT_MASS>
615.210446267

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
78

> <JCHEM_AVERAGE_POLARIZABILITY>
65.43809758730816

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-{[2,3,10,11-tetrakis(acetyloxy)-7,8,12b,13-tetrahydro-5H-6-azatetraphen-5-yl]methyl}phenyl acetate

> <ALOGPS_LOGP>
4.26

> <JCHEM_LOGP>
3.887866046999998

> <ALOGPS_LOGS>
-5.79

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
5.610741300601404

> <JCHEM_POLAR_SURFACE_AREA>
134.74

> <JCHEM_REFRACTIVITY>
160.2025

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.91e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-{[2,3,10,11-tetrakis(acetyloxy)-7,8,12b,13-tetrahydro-5H-6-azatetraphen-5-yl]methyl}phenyl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0       7.383  11.829   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.375  10.665   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       4.862  10.956   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       6.879   9.210   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       5.870   8.046   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.375   6.591   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.366   5.427   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.854   5.718   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.846   4.553   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.350   3.098   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       4.862   2.807   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       5.870   3.971   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.383   3.680   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.887   2.225   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.399   1.934   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.903   0.479   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      11.415   0.188   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      12.424   1.352   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      11.919   2.807   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      13.936   1.061   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.895  -0.685   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       9.399  -2.140   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      10.911  -2.431   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      11.919  -1.267   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      11.415  -3.887   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.383  -0.394   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.879   1.061   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.366   1.352   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.358   0.188   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.846   0.479   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.838  -0.685   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       0.326  -0.394   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -0.683  -1.558   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -0.179  -3.013   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       1.334  -3.304   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -1.187  -4.178   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -0.179   1.061   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -1.691   1.352   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      -2.699   0.188   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -2.195  -1.267   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      -4.211   0.479   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       0.830   2.225   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       2.342   1.934   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       3.350   7.173   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       4.358   8.337   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   45                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   44                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   43                                                  
CONECT   11   10   12   28                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   27                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   16   22   26                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   21   27                                                       
CONECT   27   26   14   28                                                  
CONECT   28   27   11   29                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   43                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   37                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34                                                            
CONECT   37   32   38   42                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39                                                            
CONECT   42   37   43                                                       
CONECT   43   42   10   30                                                  
CONECT   44    8   45                                                       
CONECT   45   44    5                                                       
MASTER        0    0    0    0    0    0    0    0   45    0   98    0
END

View in JSmol

Synonyms

Value	Source
4-{[2,3,10,11-tetrakis(acetyloxy)-7,8,12b,13-tetrahydro-5H-6-azatetraphen-5-yl]methyl}phenyl acetic acid	Generator

Chemical Formula

C₃₄H₃₃NO₁₀

Average Mass

615.6350 Da

Monoisotopic Mass

615.21045 Da

IUPAC Name

4-{[2,3,10,11-tetrakis(acetyloxy)-7,8,12b,13-tetrahydro-5H-6-azatetraphen-5-yl]methyl}phenyl acetate

Traditional Name

4-{[2,3,10,11-tetrakis(acetyloxy)-7,8,12b,13-tetrahydro-5H-6-azatetraphen-5-yl]methyl}phenyl acetate

CAS Registry Number

Not Available

SMILES

CC(=O)OC1=CC=C(CC2N3CCC4=CC(OC(C)=O)=C(OC(C)=O)C=C4C3CC3=CC(OC(C)=O)=C(OC(C)=O)C=C23)C=C1

InChI Identifier

InChI=1S/C34H33NO10/c1-18(36)41-26-8-6-23(7-9-26)12-29-28-17-34(45-22(5)40)32(43-20(3)38)15-25(28)13-30-27-16-33(44-21(4)39)31(42-19(2)37)14-24(27)10-11-35(29)30/h6-9,14-17,29-30H,10-13H2,1-5H3

InChI Key

GFABDGCNJRHKIB-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
Gnetum parvifolium	LOTUS Database	35616633
Talinum paniculatum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as protoberberine alkaloids and derivatives. These are alkaloids with a structure based on a protoberberine moiety, which consists of a 5,6-dihydrodibenzene moiety fused to a quinolizinium and forming 5,6-Dihydrodibenzo(a,g)quinolizinium skeleton.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Protoberberine alkaloids and derivatives

Sub Class

Not Available

Direct Parent

Protoberberine alkaloids and derivatives

Alternative Parents

Substituents

Protoberberine skeleton
Tetrahydroprotoberberine skeleton
Benzylisoquinoline
Pentacarboxylic acid or derivatives
Phenol ester
Tetrahydroisoquinoline
Phenoxy compound
Aralkylamine
Benzenoid
Monocyclic benzene moiety
Tertiary aliphatic amine
Tertiary amine
Amino acid or derivatives
Carboxylic acid ester
Organoheterocyclic compound
Azacycle
Carboxylic acid derivative
Amine
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Organopnictogen compound
Carbonyl group
Organic nitrogen compound
Organic oxide
Hydrocarbon derivative
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	4.26	ALOGPS
logP	3.89	ChemAxon
logS	-5.8	ALOGPS
pKa (Strongest Basic)	5.61	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	134.74 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	160.2 m³·mol⁻¹	ChemAxon
Polarizability	65.44 Å³	ChemAxon
Number of Rings	5	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

85202353

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4-{[2,3,10,11-tetrakis(acetyloxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphen-5-yl]methyl}phenyl acetate (NP0320270)

MOL for NP0320270 (4-{[2,3,10,11-tetrakis(acetyloxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphen-5-yl]methyl}phenyl acetate)

3D MOL for NP0320270 (4-{[2,3,10,11-tetrakis(acetyloxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphen-5-yl]methyl}phenyl acetate)

3D SDF for NP0320270 (4-{[2,3,10,11-tetrakis(acetyloxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphen-5-yl]methyl}phenyl acetate)

3D-SDF for NP0320270 (4-{[2,3,10,11-tetrakis(acetyloxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphen-5-yl]methyl}phenyl acetate)

PDB for NP0320270 (4-{[2,3,10,11-tetrakis(acetyloxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphen-5-yl]methyl}phenyl acetate)

3D PDB for NP0320270 (4-{[2,3,10,11-tetrakis(acetyloxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphen-5-yl]methyl}phenyl acetate)

SMILES for NP0320270 (4-{[2,3,10,11-tetrakis(acetyloxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphen-5-yl]methyl}phenyl acetate)

INCHI for NP0320270 (4-{[2,3,10,11-tetrakis(acetyloxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphen-5-yl]methyl}phenyl acetate)

Structure for NP0320270 (4-{[2,3,10,11-tetrakis(acetyloxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphen-5-yl]methyl}phenyl acetate)

3D Structure for NP0320270 (4-{[2,3,10,11-tetrakis(acetyloxy)-7,8,12b,13-tetrahydro-5h-6-azatetraphen-5-yl]methyl}phenyl acetate)