NP-MRD: Showing NP-Card for Trichoharzchalasin J (NP0351593)

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Record Information

Version

2.0

Created at

2025-09-25 08:51:11 UTC

Updated at

2025-09-25 12:00:50 UTC

NP-MRD ID

NP0351593

Natural Product DOI

https://doi.org/10.57994/4640

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Trichoharzchalasin J

Description

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

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 04012302022D          

 35 38  0  0  1  0            999 V2000
   -0.6424   -1.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0589   -1.5617    0.0000 C   0  0  2  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
   -0.8474   -2.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0080   -3.5456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6086   -2.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3701   -2.5633    0.0000 C   0  0  1  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
    1.4760   -1.7451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8204   -1.2443    0.0000 C   0  0  2  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
    2.4013   -1.4064    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
    3.4651   -0.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6172   -1.5333    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2035   -0.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5479   -1.3762    0.0000 O   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
    4.2043   -2.9301    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8745   -3.4897    0.0000 C   0  0  0  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
    2.7969   -2.1274    0.0000 O   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
    1.9188   -0.4858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0941   -0.4660    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5823    0.2268    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
    0.5474    1.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9406    2.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7653    2.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1968    1.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8035    0.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0108   -1.4101    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  1  0  0  0  0
  3  6  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  6  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 10  2  1  0  0  0  0
 10 11  1  6  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  6  0  0  0
 15 18  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
  7 23  1  0  0  0  0
 12 24  2  0  0  0  0
  9 25  1  1  0  0  0
 25 26  1  0  0  0  0
 27 26  1  0  0  0  0
 10 27  1  0  0  0  0
 27 28  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 29 34  1  0  0  0  0
 25 35  2  0  0  0  0
M  END


  Mrv2104 04012302022D          

 35 38  0  0  1  0            999 V2000
   -0.6424   -1.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0589   -1.5617    0.0000 C   0  0  2  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
   -0.8474   -2.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0080   -3.5456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6086   -2.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3701   -2.5633    0.0000 C   0  0  1  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
    1.4760   -1.7451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8204   -1.2443    0.0000 C   0  0  2  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
    2.4013   -1.4064    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
    3.4651   -0.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6172   -1.5333    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2035   -0.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5479   -1.3762    0.0000 O   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
    4.2043   -2.9301    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8745   -3.4897    0.0000 C   0  0  0  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
    2.7969   -2.1274    0.0000 O   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
    1.9188   -0.4858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0941   -0.4660    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5823    0.2268    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
    0.5474    1.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9406    2.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7653    2.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1968    1.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8035    0.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0108   -1.4101    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  1  0  0  0  0
  3  6  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  6  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 10  2  1  0  0  0  0
 10 11  1  6  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  6  0  0  0
 15 18  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
  7 23  1  0  0  0  0
 12 24  2  0  0  0  0
  9 25  1  1  0  0  0
 25 26  1  0  0  0  0
 27 26  1  0  0  0  0
 10 27  1  0  0  0  0
 27 28  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 29 34  1  0  0  0  0
 25 35  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0351593

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C28H37NO4/c1-18-8-7-11-22-15-21(17-30)19(2)25-23(14-20-9-5-4-6-10-20)29-26(32)28(22,25)24(31)12-13-27(3,33)16-18/h4-7,9-11,15,18-19,22-23,25,30,33H,8,12-14,16-17H2,1-3H3,(H,29,32)/b11-7+/t18-,19+,22-,23-,25-,27-,28+/m0/s1

> <INCHI_KEY>
BIZAQAYBZSRVGG-ZGEVKVCFSA-N

> <FORMULA>
C28H37NO4

> <MOLECULAR_WEIGHT>
451.607

> <EXACT_MASS>
451.272258675

$$$$

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      -1.199  -1.990   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.110  -2.915   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.088  -4.442   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.582  -5.061   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -1.882  -6.618   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       1.136  -5.377   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.557  -4.785   0.000  0.00  0.00           C+0
HETATM    8  H   UNK     0       3.979  -4.192   0.000  0.00  0.00           H+0
HETATM    9  C   UNK     0       2.755  -3.258   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.531  -2.323   0.000  0.00  0.00           C+0
HETATM   11  H   UNK     0       1.334  -3.850   0.000  0.00  0.00           H+0
HETATM   12  C   UNK     0       4.482  -2.625   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.941  -1.151   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.468  -1.349   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.752  -2.862   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.847  -1.472   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       8.489  -2.569   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       8.046  -3.942   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.848  -5.470   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.099  -6.514   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.427  -6.062   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.203  -5.127   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.781  -5.720   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       5.221  -3.971   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       4.022  -2.383   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0       3.582  -0.907   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0       2.042  -0.870   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.087   0.423   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.827   1.789   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.022   3.101   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.756   4.455   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.295   4.496   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.101   3.184   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       3.367   1.830   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       5.620  -2.632   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   10                                                  
CONECT    3    2    4    6                                                  
CONECT    4    3    5                                                       
CONECT    5    4                                                            
CONECT    6    3    7                                                       
CONECT    7    6    8    9   23                                             
CONECT    8    7                                                            
CONECT    9    7   10   12   25                                             
CONECT   10    9    2   11   27                                             
CONECT   11   10                                                            
CONECT   12    9   13   24                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17   18                                             
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   15   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22    7                                                       
CONECT   24   12                                                            
CONECT   25    9   26   35                                                  
CONECT   26   25   27                                                       
CONECT   27   26   10   28                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   34                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   29                                                       
CONECT   35   25                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   76    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₇NO₄

Average Mass

451.6070 Da

Monoisotopic Mass

451.27226 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)CC[C@](C)(O)C[C@@H](C)C\C=C\[C@@]1([H])C=C(CO)[C@H]2C

InChI Identifier

InChI=1S/C28H37NO4/c1-18-8-7-11-22-15-21(17-30)19(2)25-23(14-20-9-5-4-6-10-20)29-26(32)28(22,25)24(31)12-13-27(3,33)16-18/h4-7,9-11,15,18-19,22-23,25,30,33H,8,12-14,16-17H2,1-3H3,(H,29,32)/b11-7+/t18-,19+,22-,23-,25-,27-,28+/m0/s1

InChI Key

BIZAQAYBZSRVGG-ZGEVKVCFSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
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 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
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 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 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
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

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 J (NP0351593)

MOL for NP0351593 (Trichoharzchalasin J)

3D MOL for NP0351593 (Trichoharzchalasin J)

3D SDF for NP0351593 (Trichoharzchalasin J)

3D-SDF for NP0351593 (Trichoharzchalasin J)

PDB for NP0351593 (Trichoharzchalasin J)

3D PDB for NP0351593 (Trichoharzchalasin J)

SMILES for NP0351593 (Trichoharzchalasin J)

INCHI for NP0351593 (Trichoharzchalasin J)

Structure for NP0351593 (Trichoharzchalasin J)

3D Structure for NP0351593 (Trichoharzchalasin J)