NP-MRD: Showing NP-Card for Onopornoid A (NP0353274)

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Record Information

Version

2.0

Created at

2026-02-19 19:56:42 UTC

Updated at

2026-02-19 20:15:40 UTC

NP-MRD ID

NP0353274

Natural Product DOI

https://doi.org/10.57994/7719

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Onopornoid A

Description

Onopornoid A was first documented in 2019 (PMID: 31199638).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03202317092D          

 35 37  0  0  1  0            999 V2000
   -2.8579    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1854    2.6145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8499    3.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2624    4.0827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0294    3.2820    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4774    3.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7323    4.6797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5169    4.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5169    5.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7323    6.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2474    5.3471    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4224    5.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0099    6.0616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0099    4.6327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1904    2.9599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3276    0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3882    0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1060   -0.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   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
  6  4  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  1  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
 12 11  1  0  0  0  0
 12  8  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 16  6  1  0  0  0  0
 16  2  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  1  0  0  0
 22 23  2  0  0  0  0
 24 20  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  6  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 18 29  1  1  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 30  1  0  0  0  0
 32 33  1  1  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END


  Mrv2104 03202317092D          

 35 37  0  0  1  0            999 V2000
   -2.8579    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1854    2.6145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8499    3.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2624    4.0827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0294    3.2820    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4774    3.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7323    4.6797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5169    4.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5169    5.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7323    6.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2474    5.3471    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4224    5.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0099    6.0616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0099    4.6327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1904    2.9599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3276    0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3882    0.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1060   -0.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   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
  6  4  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  1  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
 12 11  1  0  0  0  0
 12  8  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 16  6  1  0  0  0  0
 16  2  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  1  0  0  0
 22 23  2  0  0  0  0
 24 20  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  6  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 18 29  1  1  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 30  1  0  0  0  0
 32 33  1  1  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0353274

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]12OC(=O)[C@@H](CN3CCC[C@H]3C(O)=O)[C@]1([H])[C@H](C[C@@](C)(C=C)[C@@H]2C(=C)CO)OC(=O)[C@@H](C)CO

> <INCHI_IDENTIFIER>
InChI=1S/C24H35NO8/c1-5-24(4)9-17(32-22(30)14(3)12-27)18-15(10-25-8-6-7-16(25)21(28)29)23(31)33-20(18)19(24)13(2)11-26/h5,14-20,26-27H,1-2,6-12H2,3-4H3,(H,28,29)/t14-,15-,16-,17-,18+,19+,20-,24+/m0/s1

> <INCHI_KEY>
OFDBWWHUPASCOH-QLEBMMEXSA-N

> <FORMULA>
C24H35NO8

> <MOLECULAR_WEIGHT>
465.543

> <EXACT_MASS>
465.236267091

$$$$

HEADER    PROTEIN                                 20-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-MAR-23         0                                  
HETATM    1  H   UNK     0      -5.335   3.080   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0      -6.668   3.850   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -7.813   4.880   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -7.186   6.287   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -7.956   7.621   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -5.655   6.126   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.624   7.271   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      -5.100   8.735   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      -6.565   9.211   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -6.565  10.751   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.100  11.227   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.195   9.981   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.655   9.981   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.885  11.315   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      -1.885   8.648   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -5.335   4.620   0.000  0.00  0.00           C+0
HETATM   17  H   UNK     0      -4.089   5.525   0.000  0.00  0.00           H+0
HETATM   18  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.345   0.360   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -6.325   0.360   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -5.798  -1.087   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -8.002   1.540   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -9.336   2.310   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -8.002   0.000   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -2.667   4.620   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -0.000   4.620   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.000   6.160   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       2.667   4.620   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   16   24                                             
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   16                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   12                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11    8   13                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16    6    2   17   18                                             
CONECT   17   16                                                            
CONECT   18   16   19   29                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   22   24                                             
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22                                                            
CONECT   24   20    2   25                                                  
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27                                                            
CONECT   29   18   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₄H₃₅NO₈

Average Mass

465.5430 Da

Monoisotopic Mass

465.23627 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@]12OC(=O)[C@@H](CN3CCC[C@H]3C(O)=O)[C@]1([H])[C@H](C[C@@](C)(C=C)[C@@H]2C(=C)CO)OC(=O)[C@@H](C)CO

InChI Identifier

InChI=1S/C24H35NO8/c1-5-24(4)9-17(32-22(30)14(3)12-27)18-15(10-25-8-6-7-16(25)21(28)29)23(31)33-20(18)19(24)13(2)11-26/h5,14-20,26-27H,1-2,6-12H2,3-4H3,(H,28,29)/t14-,15-,16-,17-,18+,19+,20-,24+/m0/s1

InChI Key

OFDBWWHUPASCOH-QLEBMMEXSA-N

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, 600.0, Methanol-d4, simulated)	[email protected]	Not Available	Not Available	2026-02-19	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150.0, Methanol-d4, simulated)	[email protected]	Not Available	Not Available	2026-02-19	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Onopordum alexandrinum		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 Onopornoid A (NP0353274)

MOL for NP0353274 (Onopornoid A)

3D MOL for NP0353274 (Onopornoid A)

3D SDF for NP0353274 (Onopornoid A)

3D-SDF for NP0353274 (Onopornoid A)

PDB for NP0353274 (Onopornoid A)

3D PDB for NP0353274 (Onopornoid A)

SMILES for NP0353274 (Onopornoid A)

INCHI for NP0353274 (Onopornoid A)

Structure for NP0353274 (Onopornoid A)

3D Structure for NP0353274 (Onopornoid A)