NP-MRD: Showing NP-Card for Strophioglane E (NP0353791)

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Record Information

Version

2.0

Created at

2026-02-26 15:53:20 UTC

Updated at

2026-06-18 03:41:28 UTC

NP-MRD ID

NP0353791

Natural Product DOI

https://doi.org/10.57994/8334

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Strophioglane E

Description

Strophioglane E was first documented in 2026 (PMID: 41889240).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03272313052D          

 25 28  0  0  0  0            999 V2000
    3.5906   -0.5388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7084   -1.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8312   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6477   -0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1581   -1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9746   -0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -0.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7016   -0.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4849   -1.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3015   -1.4143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1787   -2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3622   -2.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8519   -1.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5457   -2.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0353   -1.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7291   -2.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9126   -2.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6064   -3.5357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7540   -2.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8919   -1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1258   -1.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4776   -1.6773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  3 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END


  Mrv2104 03272313052D          

 25 28  0  0  0  0            999 V2000
    3.5906   -0.5388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7084   -1.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8312   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6477   -0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1581   -1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9746   -0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -0.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7016   -0.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4849   -1.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3015   -1.4143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1787   -2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3622   -2.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8519   -1.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5457   -2.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0353   -1.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7291   -2.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9126   -2.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6064   -3.5357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7540   -2.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8919   -1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1258   -1.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4776   -1.6773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  3 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0353791

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]C12C(CO)C1(C)C(=O)C=C1C2=CCC2([H])C(C)(C)C(=O)CCC12C

> <INCHI_IDENTIFIER>
InChI=1/C20H26O3/c1-18(2)14-6-5-11-12(19(14,3)8-7-15(18)22)9-16(23)20(4)13(10-21)17(11)20/h5,9,13-14,17,21H,6-8,10H2,1-4H3

> <INCHI_KEY>
XVOUIGUMTUFWMU-UHFFFAOYNA-N

> <FORMULA>
C20H26O3

> <MOLECULAR_WEIGHT>
314.425

> <EXACT_MASS>
314.188194697

$$$$

HEADER    PROTEIN                                 27-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAR-23         0                                  
HETATM    1  H   UNK     0       6.702  -1.006   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0       6.922  -2.530   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.447  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.018  -0.880   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.542  -0.660   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.495  -1.870   0.000  0.00  0.00           C+0
HETATM    7  H   UNK     0      12.448  -3.080   0.000  0.00  0.00           H+0
HETATM    8  C   UNK     0      13.019  -1.650   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.538  -0.187   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      14.376  -0.922   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      13.972  -2.860   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      15.496  -2.640   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      13.400  -4.290   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      11.876  -4.510   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.923  -3.300   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.352  -4.730   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.399  -3.520   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.828  -4.950   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.303  -5.170   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       6.732  -6.600   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       6.351  -3.960   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.141  -4.913   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.398  -2.750   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.968  -2.178   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       2.758  -3.131   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   21   23                                             
CONECT    3    2    4   17                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8   15                                             
CONECT    7    6                                                            
CONECT    8    6    9   10   11                                             
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    8   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14    6   16   17                                             
CONECT   16   15                                                            
CONECT   17   15    3   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19    2   22   23                                             
CONECT   22   21                                                            
CONECT   23   21    2   24                                                  
CONECT   24   23   25                                                       
CONECT   25   24                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   56    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₆O₃

Average Mass

314.4250 Da

Monoisotopic Mass

314.18819 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H]C12C(CO)C1(C)C(=O)C=C1C2=CCC2([H])C(C)(C)C(=O)CCC12C

InChI Identifier

InChI=1/C20H26O3/c1-18(2)14-6-5-11-12(19(14,3)8-7-15(18)22)9-16(23)20(4)13(10-21)17(11)20/h5,9,13-14,17,21H,6-8,10H2,1-4H3

InChI Key

XVOUIGUMTUFWMU-UHFFFAOYNA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	[email protected]	Sun Yat-sen University	Jiankai Xia	2026-02-26	View Spectrum
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	[email protected]	Sun Yat-sen University	Jiankai Xia	2026-02-26	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	[email protected]	Sun Yat-sen University	Jiankai Xia	2026-02-26	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	[email protected]	Sun Yat-sen University	Jiankai Xia	2026-02-26	View Spectrum
1D_DEPT NMR	¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)	[email protected]	Sun Yat-sen University	Jiankai Xia	2026-02-26	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)	[email protected]	Sun Yat-sen University	Jiankai Xia	2026-02-26	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)	[email protected]	Sun Yat-sen University	Jiankai Xia	2026-02-26	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Strophioblachia Strophioblachia glandulosa var. cordifolia		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 Strophioglane E (NP0353791)

MOL for NP0353791 (Strophioglane E)

3D MOL for NP0353791 (Strophioglane E)

3D SDF for NP0353791 (Strophioglane E)

3D-SDF for NP0353791 (Strophioglane E)

PDB for NP0353791 (Strophioglane E)

3D PDB for NP0353791 (Strophioglane E)

SMILES for NP0353791 (Strophioglane E)

INCHI for NP0353791 (Strophioglane E)

Structure for NP0353791 (Strophioglane E)

3D Structure for NP0353791 (Strophioglane E)