NP-MRD: Showing NP-Card for Alstonine 6-methylpropionate (NP0352716)

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Record Information

Version

2.0

Created at

2026-02-15 02:14:04 UTC

Updated at

2026-02-15 04:01:53 UTC

NP-MRD ID

NP0352716

Natural Product DOI

https://doi.org/10.57994/7005

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Alstonine 6-methylpropionate

Description

Alstonine 6-methylpropionate was first documented in 2020 (PMID: 32091210).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03152323272D          

 34 38  0  0  1  0            999 V2000
    5.6618    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1234    1.0376    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5850    1.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7744    1.5090    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5023    0.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0407    0.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8512    0.2588    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5791   -0.5200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3896   -0.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2002   -0.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4723    0.5662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9339    1.1913    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2061    1.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1175   -1.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069   -1.2989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6559   -1.7702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3837   -2.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    0.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1533    1.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3924    0.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4606    0.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2636   -0.1288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7826   -0.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0365   -0.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0316    0.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6463    1.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4254    1.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8870    2.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1592    3.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6208    4.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8102    3.8556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8929    4.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3545    5.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2360    2.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  6  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  5 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 20 26  1  0  0  0  0
 19 27  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
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 27 34  2  0  0  0  0
  4 34  1  0  0  0  0
M  CHG  1   4   1
M  END


  Mrv2104 03152323272D          

 34 38  0  0  1  0            999 V2000
    5.6618    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1234    1.0376    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5850    1.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7744    1.5090    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5023    0.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0407    0.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8512    0.2588    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5791   -0.5200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3896   -0.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2002   -0.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4723    0.5662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9339    1.1913    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2061    1.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1175   -1.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069   -1.2989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6559   -1.7702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3837   -2.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    0.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1533    1.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3924    0.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4606    0.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2636   -0.1288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7826   -0.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0365   -0.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0316    0.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6463    1.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4254    1.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8870    2.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1592    3.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6208    4.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8102    3.8556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8929    4.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3545    5.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2360    2.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  6  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
  5 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 20 26  1  0  0  0  0
 19 27  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
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 27 34  2  0  0  0  0
  4 34  1  0  0  0  0
M  CHG  1   4   1
M  END
> <DATABASE_ID>
NP0352716

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12C[N+]3=C(C[C@]1([H])C(=CO[C@H]2C)C(=O)OC)C1=C(C2=C(N1)C=CC=C2)C(CCC(=O)OC)=C3

> <INCHI_IDENTIFIER>
InChI=1S/C25H26N2O5/c1-14-18-12-27-11-15(8-9-22(28)30-2)23-16-6-4-5-7-20(16)26-24(23)21(27)10-17(18)19(13-32-14)25(29)31-3/h4-7,11,13-14,17-18H,8-10,12H2,1-3H3/p+1/t14-,17-,18-/m0/s1

> <INCHI_KEY>
CHERDKOWGPDVSA-WBAXXEDZSA-O

> <FORMULA>
C25H27N2O5

> <MOLECULAR_WEIGHT>
435.499

> <EXACT_MASS>
435.191448398

$$$$

HEADER    PROTEIN                                 15-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-MAR-23         0                                  
HETATM    1  H   UNK     0      10.569   0.770   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0       9.564   1.937   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.559   3.104   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0       7.046   2.817   0.000  0.00  0.00           N+1
HETATM    5  C   UNK     0       6.538   1.363   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.543   0.196   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.056   0.483   0.000  0.00  0.00           C+0
HETATM    8  H   UNK     0       8.548  -0.971   0.000  0.00  0.00           H+0
HETATM    9  C   UNK     0      10.061  -0.684   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.574  -0.397   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      12.082   1.057   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      11.077   2.224   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      11.585   3.678   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.553  -2.138   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       8.040  -2.425   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      10.558  -3.304   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      10.050  -4.758   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.025   1.076   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.019   2.243   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.599   1.648   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.726   0.113   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0       4.225  -0.240   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0       1.461  -0.765   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.068  -0.108   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.059   1.427   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.206   2.305   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.527   3.697   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.522   4.863   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.030   6.317   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.025   7.484   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       1.512   7.197   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       3.533   8.938   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       2.528  10.105   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       6.041   3.984   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    7   12                                             
CONECT    3    2    4                                                       
CONECT    4    3    5   34                                                  
CONECT    5    4    6   18                                                  
CONECT    6    5    7                                                       
CONECT    7    6    2    8    9                                             
CONECT    8    7                                                            
CONECT    9    7   10   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11    2   13                                                  
CONECT   13   12                                                            
CONECT   14    9   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16                                                            
CONECT   18    5   19   22                                                  
CONECT   19   18   20   27                                                  
CONECT   20   19   21   26                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21   18                                                       
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   20                                                       
CONECT   27   19   28   34                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32                                                            
CONECT   34   27    4                                                       
MASTER        0    0    0    0    0    0    0    0   34    0   76    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₅H₂₇N₂O₅

Average Mass

435.4990 Da

Monoisotopic Mass

435.19145 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@@]12C[N+]3=C(C[C@]1([H])C(=CO[C@H]2C)C(=O)OC)C1=C(C2=C(N1)C=CC=C2)C(CCC(=O)OC)=C3

InChI Identifier

InChI=1S/C25H26N2O5/c1-14-18-12-27-11-15(8-9-22(28)30-2)23-16-6-4-5-7-20(16)26-24(23)21(27)10-17(18)19(13-32-14)25(29)31-3/h4-7,11,13-14,17-18H,8-10,12H2,1-3H3/p+1/t14-,17-,18-/m0/s1

InChI Key

CHERDKOWGPDVSA-WBAXXEDZSA-O

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View

Predicted Spectra

Not Available

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 400.0, Dimethylsulfoxide-d6, simulated)	[email protected]	Not Available	Not Available	2026-02-15	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100.0, Dimethylsulfoxide-d6, simulated)	[email protected]	Not Available	Not Available	2026-02-15	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Picralima nitida		Not Available

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

External Links

Not Available

References

General References

Showing NP-Card for Alstonine 6-methylpropionate (NP0352716)

MOL for NP0352716 (Alstonine 6-methylpropionate)

3D MOL for NP0352716 (Alstonine 6-methylpropionate)

3D SDF for NP0352716 (Alstonine 6-methylpropionate)

3D-SDF for NP0352716 (Alstonine 6-methylpropionate)

PDB for NP0352716 (Alstonine 6-methylpropionate)

3D PDB for NP0352716 (Alstonine 6-methylpropionate)

SMILES for NP0352716 (Alstonine 6-methylpropionate)

INCHI for NP0352716 (Alstonine 6-methylpropionate)

Structure for NP0352716 (Alstonine 6-methylpropionate)

3D Structure for NP0352716 (Alstonine 6-methylpropionate)