NP-MRD: Showing NP-Card for Kopsidasine N-oxide (NP0066892)

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Record Information

Version

2.0

Created at

2022-04-28 11:07:18 UTC

Updated at

2022-04-28 11:07:18 UTC

NP-MRD ID

NP0066892

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Kopsidasine N-oxide

Description

Kopsidasine N-oxide belongs to the class of organic compounds known as aspidofractine alkaloids. These are alkaloids with a structure that is based on the hexacyclic aspidofractine core. These compounds are related to the Aspidosperma group by formation of a C-2 to C-18 bond. Kopsidasine N-oxide is found in Kopsia dasyrachis. Based on a literature review very few articles have been published on Kopsidasine N-oxide.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282213072D          

 33 38  0  0  1  0            999 V2000
    6.7143    0.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3060    0.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1040    1.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3102    1.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7185    1.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9205    0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8394    1.1527    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0933    2.0737    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9080    2.3764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1992    3.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6763    3.7864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0133    3.2820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5361    2.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4505    1.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8128    2.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1622    1.6652    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8765    1.0419    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6514    0.1748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4494   -0.6251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8187    0.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1996    0.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3151    1.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3212   -0.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8777    0.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1214    1.8297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4395    2.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3664    2.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5986    3.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4003    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0291    4.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2613    4.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9163   -0.7711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7100   -0.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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 32 33  1  0  0  0  0
M  END

     RDKit          3D

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    0.2215   -0.4586    0.4041 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5622   -0.1789   -0.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5956   -0.9541   -0.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7562   -0.4005   -1.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7771   -1.2312   -1.6407 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9398   -0.6418   -2.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414    0.9726   -1.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7908    1.7821   -0.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6590    1.2009   -0.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4287    1.7532    0.3266 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5153    2.9256    1.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3799    3.4109    1.8078 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7097    3.6748    1.0871 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7837    4.8533    1.8576 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5240   -0.0136    2.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7201    0.1286   -2.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5939   -0.1856   -1.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7412    1.3979   -1.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
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 33 61  1  0
M  CHG  2  11   1  12  -1
M  END


  Mrv1652304282213072D          

 33 38  0  0  1  0            999 V2000
    6.7143    0.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3060    0.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1040    1.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3102    1.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7185    1.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9205    0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8394    1.1527    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0933    2.0737    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9080    2.3764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1992    3.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6763    3.7864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0133    3.2820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5361    2.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4505    1.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8128    2.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1622    1.6652    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.4494   -0.6251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1996    0.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3151    1.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3212   -0.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8777    0.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1214    1.8297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3664    2.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5986    3.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4003    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2613    4.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9163   -0.7711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7100   -0.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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M  END
> <DATABASE_ID>
NP0066892

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)N1C2=CC=C(OC)C=C2[C@@]23CCN4(=O)CCC[C@]5(CC[C@]12C(=C5)C(=O)OC)[C@@]34O

> <INCHI_IDENTIFIER>
InChI=1S/C24H28N2O7/c1-31-15-5-6-18-16(13-15)22-10-12-26(30)11-4-7-21(24(22,26)29)8-9-23(22,25(18)20(28)33-3)17(14-21)19(27)32-2/h5-6,13-14,29H,4,7-12H2,1-3H3/t21-,22+,23-,24-,26?/m1/s1

> <INCHI_KEY>
LNCITCPIXQZCNJ-CXMKFZMTSA-N

> <FORMULA>
C24H28N2O7

> <MOLECULAR_WEIGHT>
456.495

> <EXACT_MASS>
456.18965125

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
61

> <JCHEM_AVERAGE_POLARIZABILITY>
46.696718427458975

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,18-dimethyl (1S,9S,16R,21R)-21-hydroxy-6-methoxy-12-oxo-2,12lambda5-diazahexacyclo[14.2.2.1^{9,12}.0^{1,9}.0^{3,8}.0^{16,21}]henicosa-3,5,7,17-tetraene-2,18-dicarboxylate

> <ALOGPS_LOGP>
-0.23

> <JCHEM_LOGP>
1.146868863666666

> <ALOGPS_LOGS>
-4.14

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.611398579605286

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.052357636392793

> <JCHEM_PKA_STRONGEST_BASIC>
-2.1255915770994642

> <JCHEM_POLAR_SURFACE_AREA>
112.18

> <JCHEM_REFRACTIVITY>
117.29649999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.30e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,18-dimethyl (1S,9S,16R,21R)-21-hydroxy-6-methoxy-12-oxo-2,12lambda5-diazahexacyclo[14.2.2.1^{9,12}.0^{1,9}.0^{3,8}.0^{16,21}]henicosa-3,5,7,17-tetraene-2,18-dicarboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0      12.533   0.054   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      13.638   1.127   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.261   2.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.779   3.040   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.675   1.967   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.052   0.474   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.033   2.152   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.507   3.871   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      11.028   4.436   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      11.572   5.877   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      10.596   7.068   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      13.091   6.126   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      14.067   4.935   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.308   3.131   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.117   3.894   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.903   3.108   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.236   1.945   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       6.816   0.326   0.000  0.00  0.00           N+0
HETATM   19  O   UNK     0       6.439  -1.167   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       5.261   0.079   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.106   1.133   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.321   2.689   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.066  -0.629   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.105   0.545   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       7.693   3.415   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       6.420   4.771   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.151   4.933   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.584   6.411   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      10.080   6.774   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       7.521   7.525   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       7.954   9.002   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      12.910  -1.439   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      14.392  -1.859   0.000  0.00  0.00           C+0
CONECT    1    2    6   32                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8   17   24                                             
CONECT    8    7    9   14   27                                             
CONECT    9    8    4   10                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12                                                            
CONECT   14    8   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   22   26                                             
CONECT   17   16    7   18   25                                             
CONECT   18   17   19   20   23                                             
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   16                                                       
CONECT   23   18   24                                                       
CONECT   24   23    7                                                       
CONECT   25   17                                                            
CONECT   26   16   27                                                       
CONECT   27   26    8   28                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30                                                            
CONECT   32    1   33                                                       
CONECT   33   32                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   76    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₄H₂₈N₂O₇

Average Mass

456.4950 Da

Monoisotopic Mass

456.18965 Da

IUPAC Name

2,18-dimethyl (1S,9S,16R,21R)-21-hydroxy-6-methoxy-12-oxo-2,12lambda5-diazahexacyclo[14.2.2.1^{9,12}.0^{1,9}.0^{3,8}.0^{16,21}]henicosa-3,5,7,17-tetraene-2,18-dicarboxylate

Traditional Name

2,18-dimethyl (1S,9S,16R,21R)-21-hydroxy-6-methoxy-12-oxo-2,12lambda5-diazahexacyclo[14.2.2.1^{9,12}.0^{1,9}.0^{3,8}.0^{16,21}]henicosa-3,5,7,17-tetraene-2,18-dicarboxylate

CAS Registry Number

Not Available

SMILES

COC(=O)N1C2=CC=C(OC)C=C2[C@@]23CCN4(=O)CCC[C@]5(CC[C@]12C(=C5)C(=O)OC)[C@@]34O

InChI Identifier

InChI=1S/C24H28N2O7/c1-31-15-5-6-18-16(13-15)22-10-12-26(30)11-4-7-21(24(22,26)29)8-9-23(22,25(18)20(28)33-3)17(14-21)19(27)32-2/h5-6,13-14,29H,4,7-12H2,1-3H3/t21-,22+,23-,24-,26?/m1/s1

InChI Key

LNCITCPIXQZCNJ-CXMKFZMTSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Kopsia dasyrachis	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aspidofractine alkaloids. These are alkaloids with a structure that is based on the hexacyclic aspidofractine core. These compounds are related to the Aspidosperma group by formation of a C-2 to C-18 bond.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Aspidofractine alkaloids

Sub Class

Not Available

Direct Parent

Aspidofractine alkaloids

Alternative Parents

Substituents

Aspidofractine skeleton
Carbazole
Indolecarboxylic acid derivative
Indolecarboxylic acid
Quinolidine
Azaspirodecane
Indolizidine
Indole or derivatives
Anisole
Alkyl aryl ether
Benzenoid
N-alkylpyrrolidine
Piperidine
Trialkyl amine oxide
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Methyl ester
Carbamic acid ester
Pyrrolidine
Cyclic alcohol
Carbonic acid derivative
Hemiaminal
Carboxylic acid ester
Azacycle
Organoheterocyclic compound
Trisubstituted n-oxide
Monocarboxylic acid or derivatives
Ether
Carboxylic acid derivative
N-oxide
Alkanolamine
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organic zwitterion
Organooxygen compound
Organonitrogen compound
Carbonyl group
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	-0.23	ALOGPS
logP	1.15	ChemAxon
logS	-4.1	ALOGPS
pKa (Strongest Acidic)	11.05	ChemAxon
pKa (Strongest Basic)	-2.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	112.18 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	117.3 m³·mol⁻¹	ChemAxon
Polarizability	46.7 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00024546

Chemspider ID

9320025

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11144915

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for Kopsidasine N-oxide (NP0066892)

MOL for NP0066892 (Kopsidasine N-oxide)

3D MOL for NP0066892 (Kopsidasine N-oxide)

3D SDF for NP0066892 (Kopsidasine N-oxide)

3D-SDF for NP0066892 (Kopsidasine N-oxide)

PDB for NP0066892 (Kopsidasine N-oxide)

3D PDB for NP0066892 (Kopsidasine N-oxide)

SMILES for NP0066892 (Kopsidasine N-oxide)

INCHI for NP0066892 (Kopsidasine N-oxide)

Structure for NP0066892 (Kopsidasine N-oxide)

3D Structure for NP0066892 (Kopsidasine N-oxide)