NP-MRD: Showing NP-Card for Taichunin E (NP0353624)

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Record Information

Version

2.0

Created at

2026-02-24 07:03:11 UTC

Updated at

2026-02-24 08:01:31 UTC

NP-MRD ID

NP0353624

Natural Product DOI

https://doi.org/10.57994/8163

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Taichunin E

Description

Taichunin E was first documented in 2021 (PMID: 34464116).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03252304152D          

 26 28  0  0  1  0            999 V2000
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1225    1.1295    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5305    1.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3555    1.8517    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7636    2.5687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7725    1.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5975    1.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144    0.4331    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6497   -0.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6064   -0.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4439   -0.3818    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3734   -1.0061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.4228    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6189   -0.3869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1314   -0.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3064   -0.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    0.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2975    1.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4048    1.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2636    1.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9564   -0.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5484   -1.0113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7814   -0.2891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6431    0.9673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4201    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  1  0  0  0
 13 11  1  0  0  0  0
 13  6  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15  2  1  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  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 15 22  1  6  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  8 25  1  1  0  0  0
 25 26  2  0  0  0  0
M  END


  Mrv2104 03252304152D          

 26 28  0  0  1  0            999 V2000
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1225    1.1295    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5305    1.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3555    1.8517    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7636    2.5687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7725    1.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5975    1.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144    0.4331    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6497   -0.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6064   -0.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4439   -0.3818    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3734   -1.0061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.4228    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6189   -0.3869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1314   -0.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3064   -0.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    0.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2975    1.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4048    1.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2636    1.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9564   -0.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5484   -1.0113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7814   -0.2891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6431    0.9673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4201    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  1  0  0  0
 13 11  1  0  0  0  0
 13  6  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15  2  1  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  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 15 22  1  6  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  8 25  1  1  0  0  0
 25 26  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0353624

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12C[C@H](O)C3=C[C@](C)(C[C@@H](O)[C@]3(O)[C@]1(CCCC2(C)C)C(O)=O)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C20H30O5/c1-5-18(4)10-12-13(21)9-14-17(2,3)7-6-8-19(14,16(23)24)20(12,25)15(22)11-18/h5,10,13-15,21-22,25H,1,6-9,11H2,2-4H3,(H,23,24)/t13-,14-,15+,18+,19-,20-/m0/s1

> <INCHI_KEY>
COTNALMMHHUFKL-LFZGFYNSSA-N

> <FORMULA>
C20H30O5

> <MOLECULAR_WEIGHT>
350.455

> <EXACT_MASS>
350.209324066

$$$$

HEADER    PROTEIN                                 25-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-MAR-23         0                                  
HETATM    1  H   UNK     0       1.334   0.770   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0       2.095   2.108   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.857   3.447   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.397   3.457   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       5.159   4.795   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       5.175   2.128   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.715   2.137   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.494   0.808   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.679  -0.174   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.732  -0.530   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.562  -0.713   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       4.430  -1.878   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       4.414   0.789   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       3.022  -0.722   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       2.874   0.780   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.112  -0.559   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.572  -0.568   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.206   0.760   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.555   2.099   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.756   2.907   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.492   3.638   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.652  -0.549   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       2.890  -1.888   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       5.192  -0.540   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       8.667   1.806   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.117   1.288   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   15   19                                             
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   13                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10   25                                             
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11    6   14   15                                             
CONECT   14   13                                                            
CONECT   15   13    2   16   22                                             
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18    2   20   21                                             
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   15   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25    8   26                                                       
CONECT   26   25                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   56    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₃₀O₅

Average Mass

350.4550 Da

Monoisotopic Mass

350.20932 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@@]12C[C@H](O)C3=C[C@](C)(C[C@@H](O)[C@]3(O)[C@]1(CCCC2(C)C)C(O)=O)C=C

InChI Identifier

InChI=1S/C20H30O5/c1-5-18(4)10-12-13(21)9-14-17(2,3)7-6-8-19(14,16(23)24)20(12,25)15(22)11-18/h5,10,13-15,21-22,25H,1,6-9,11H2,2-4H3,(H,23,24)/t13-,14-,15+,18+,19-,20-/m0/s1

InChI Key

COTNALMMHHUFKL-LFZGFYNSSA-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, Dimethylsulfoxide-d6, simulated)	[email protected]	Not Available	Not Available	2026-02-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150.0, Dimethylsulfoxide-d6, simulated)	[email protected]	Not Available	Not Available	2026-02-24	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Aspergillus taichungensis IBT 19404		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 Taichunin E (NP0353624)

MOL for NP0353624 (Taichunin E)

3D MOL for NP0353624 (Taichunin E)

3D SDF for NP0353624 (Taichunin E)

3D-SDF for NP0353624 (Taichunin E)

PDB for NP0353624 (Taichunin E)

3D PDB for NP0353624 (Taichunin E)

SMILES for NP0353624 (Taichunin E)

INCHI for NP0353624 (Taichunin E)

Structure for NP0353624 (Taichunin E)

3D Structure for NP0353624 (Taichunin E)