NP-MRD: Showing NP-Card for Trichoharzchalasin E (NP0351588)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2025-09-25 08:48:08 UTC

Updated at

2025-09-25 12:00:50 UTC

NP-MRD ID

NP0351588

Natural Product DOI

https://doi.org/10.57994/4635

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Trichoharzchalasin E

Description

Trichoharzchalasin E was first documented in 2025 (PMID: 40984009).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 04012301592D          

 34 37  0  0  1  0            999 V2000
    4.8855   -3.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2043   -2.9301    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4428   -3.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7872   -2.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0257   -3.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3102   -2.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6172   -1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9879   -2.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4651   -0.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6470   -0.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4013   -1.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4760   -1.7451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3701   -2.5633    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1316   -2.2459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6086   -2.8807    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4405   -3.7267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470   -2.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0589   -1.5617    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6719   -1.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8403   -2.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8204   -1.2443    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0941   -0.4660    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5759    0.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9788    0.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5514    1.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9487    2.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7735    2.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2010    1.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8036    0.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9188   -0.4858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1549   -1.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1579   -1.0703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1356   -1.3802    0.0000 O   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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  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 13  1  0  0  0  0
 13  5  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 18 17  1  0  0  0  0
 18 19  1  1  0  0  0
 17 20  2  0  0  0  0
 21 12  1  0  0  0  0
 21 18  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  0  0  0  0
 23 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 25 30  1  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  0  0  0  0
 12 32  1  1  0  0  0
 32 33  2  0  0  0  0
 11 34  2  0  0  0  0
M  END


  Mrv2104 04012301592D          

 34 37  0  0  1  0            999 V2000
    4.8855   -3.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2043   -2.9301    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4428   -3.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7872   -2.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0257   -3.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3102   -2.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6172   -1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9879   -2.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4651   -0.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6470   -0.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4013   -1.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4760   -1.7451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3701   -2.5633    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1316   -2.2459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6086   -2.8807    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4405   -3.7267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470   -2.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0589   -1.5617    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6719   -1.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8403   -2.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8204   -1.2443    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0941   -0.4660    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5759    0.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9788    0.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5514    1.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9487    2.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7735    2.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2010    1.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8036    0.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9188   -0.4858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1549   -1.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1579   -1.0703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1356   -1.3802    0.0000 O   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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  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 13  1  0  0  0  0
 13  5  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 18 17  1  0  0  0  0
 18 19  1  1  0  0  0
 17 20  2  0  0  0  0
 21 12  1  0  0  0  0
 21 18  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  0  0  0  0
 23 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 25 30  1  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  0  0  0  0
 12 32  1  1  0  0  0
 32 33  2  0  0  0  0
 11 34  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0351588

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]12[C@H](CC3=CC=CC=C3)NC(=O)[C@]11C(=O)C\C=C(C)\C[C@@H](C)C\C=C\[C@@]1([H])[C@H](O)C(=C)[C@H]2C

> <INCHI_IDENTIFIER>
InChI=1S/C28H35NO3/c1-17-9-8-12-22-26(31)20(4)19(3)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)24(30)14-13-18(2)15-17/h5-8,10-13,17,19,22-23,25-26,31H,4,9,14-16H2,1-3H3,(H,29,32)/b12-8+,18-13+/t17-,19+,22-,23-,25-,26+,28+/m0/s1

> <INCHI_KEY>
SPMKGINPBHNBPJ-HSMMDVGISA-N

> <FORMULA>
C28H35NO3

> <MOLECULAR_WEIGHT>
433.592

> <EXACT_MASS>
433.261693991

$$$$

HEADER    PROTEIN                                 01-APR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-APR-23         0                                  
HETATM    1  C   UNK     0       9.120  -6.467   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.848  -5.470   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.427  -6.062   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.203  -5.127   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.781  -5.720   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.046  -3.942   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.752  -2.862   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.577  -3.965   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.468  -1.349   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.941  -1.151   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.482  -2.625   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.755  -3.258   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.557  -4.785   0.000  0.00  0.00           C+0
HETATM   14  H   UNK     0       3.979  -4.192   0.000  0.00  0.00           H+0
HETATM   15  C   UNK     0       1.136  -5.377   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       0.822  -6.956   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -0.088  -4.442   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.110  -2.915   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.254  -2.066   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.569  -5.062   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.531  -2.323   0.000  0.00  0.00           C+0
HETATM   22  H   UNK     0       1.334  -3.850   0.000  0.00  0.00           H+0
HETATM   23  C   UNK     0       2.042  -0.870   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.075   0.420   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.827   1.789   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.029   3.106   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.771   4.455   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.311   4.488   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.109   3.171   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.367   1.821   0.000  0.00  0.00           C+0
HETATM   31  N   UNK     0       3.582  -0.907   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0       4.022  -2.383   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       5.895  -1.998   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       5.853  -2.576   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    6                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4   13                                                       
CONECT    6    2    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   34                                                  
CONECT   12   11   13   21   32                                             
CONECT   13   12    5   14   15                                             
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   20                                                  
CONECT   18   17   19   21                                                  
CONECT   19   18                                                            
CONECT   20   17                                                            
CONECT   21   12   18   22   23                                             
CONECT   22   21                                                            
CONECT   23   21   24   31                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   30                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   25                                                       
CONECT   31   23   32                                                       
CONECT   32   31   12   33                                                  
CONECT   33   32                                                            
CONECT   34   11                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₅NO₃

Average Mass

433.5920 Da

Monoisotopic Mass

433.26169 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@]12[C@H](CC3=CC=CC=C3)NC(=O)[C@]11C(=O)C\C=C(C)\C[C@@H](C)C\C=C\[C@@]1([H])[C@H](O)C(=C)[C@H]2C

InChI Identifier

InChI=1S/C28H35NO3/c1-17-9-8-12-22-26(31)20(4)19(3)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)24(30)14-13-18(2)15-17/h5-8,10-13,17,19,22-23,25-26,31H,4,9,14-16H2,1-3H3,(H,29,32)/b12-8+,18-13+/t17-,19+,22-,23-,25-,26+,28+/m0/s1

InChI Key

SPMKGINPBHNBPJ-HSMMDVGISA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	tanggh5@mail.sysu.edu.cn	Sun Yat-sen University	Gui-Hua Tang	2025-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)	tanggh5@mail.sysu.edu.cn	Sun Yat-sen University	Gui-Hua Tang	2025-09-25	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	tanggh5@mail.sysu.edu.cn	Sun Yat-sen University	Gui-Hua Tang	2025-09-25	View Spectrum
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	tanggh5@mail.sysu.edu.cn	Sun Yat-sen University	Gui-Hua Tang	2025-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)	tanggh5@mail.sysu.edu.cn	Sun Yat-sen University	Gui-Hua Tang	2025-09-25	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	tanggh5@mail.sysu.edu.cn	Sun Yat-sen University	Gui-Hua Tang	2025-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)	tanggh5@mail.sysu.edu.cn	Sun Yat-sen University	Gui-Hua Tang	2025-09-25	View Spectrum
1D_DEPT NMR	¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)	tanggh5@mail.sysu.edu.cn	Sun Yat-sen University	Gui-Hua Tang	2025-09-25	View Spectrum
1D_DEPT NMR	¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)	tanggh5@mail.sysu.edu.cn	Sun Yat-sen University	Gui-Hua Tang	2025-09-25	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Trichoderma harzianum MLJ-4		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 Trichoharzchalasin E (NP0351588)

MOL for NP0351588 (Trichoharzchalasin E)

3D MOL for NP0351588 (Trichoharzchalasin E)

3D SDF for NP0351588 (Trichoharzchalasin E)

3D-SDF for NP0351588 (Trichoharzchalasin E)

PDB for NP0351588 (Trichoharzchalasin E)

3D PDB for NP0351588 (Trichoharzchalasin E)

SMILES for NP0351588 (Trichoharzchalasin E)

INCHI for NP0351588 (Trichoharzchalasin E)

Structure for NP0351588 (Trichoharzchalasin E)

3D Structure for NP0351588 (Trichoharzchalasin E)