NP-MRD: Showing NP-Card for Irciniastatin C (NP0353842)

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Record Information

Version

2.0

Created at

2026-03-09 08:45:10 UTC

Updated at

2026-04-29 03:35:05 UTC

NP-MRD ID

NP0353842

Natural Product DOI

https://doi.org/10.57994/8403

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Irciniastatin C

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 04072305562D          

 44 46  0  0  1  0            999 V2000
    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -5.7750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6704   -5.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1401   -4.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   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
   -4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -0.0000    0.0000 O   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   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.0125    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
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 11  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  6  0  0  0
 16 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 21 29  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 19 31  1  0  0  0  0
 30 32  2  0  0  0  0
 14 33  1  6  0  0  0
 14 34  1  0  0  0  0
  6 34  1  0  0  0  0
  5 35  1  0  0  0  0
 35 36  1  0  0  0  0
  3 37  2  0  0  0  0
  2 38  1  0  0  0  0
 38 39  1  6  0  0  0
 39 40  1  0  0  0  0
 38 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
M  END


  Mrv2104 04072305562D          

 44 46  0  0  1  0            999 V2000
    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -5.7750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6704   -5.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1401   -4.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   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
   -4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -0.0000    0.0000 O   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   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.0125    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
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 11  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  6  0  0  0
 16 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 21 29  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 19 31  1  0  0  0  0
 30 32  2  0  0  0  0
 14 33  1  6  0  0  0
 14 34  1  0  0  0  0
  6 34  1  0  0  0  0
  5 35  1  0  0  0  0
 35 36  1  0  0  0  0
  3 37  2  0  0  0  0
  2 38  1  0  0  0  0
 38 39  1  6  0  0  0
 39 40  1  0  0  0  0
 38 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0353842

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]1(C[C@@H](O)C(C)(C)[C@@]([H])(C[C@H](O)C[C@H]2CC3=C(C(O)=CC(O)=C3C)C(=O)O2)O1)[C@@H](NC(=O)[C@@H](O)[C@H](CC(C)=C)OC)OC

> <INCHI_IDENTIFIER>
InChI=1S/C30H45NO11/c1-14(2)8-21(39-6)26(36)27(37)31-28(40-7)22-13-23(35)30(4,5)24(42-22)10-16(32)9-17-11-18-15(3)19(33)12-20(34)25(18)29(38)41-17/h12,16-17,21-24,26,28,32-36H,1,8-11,13H2,2-7H3,(H,31,37)/t16-,17+,21+,22+,23-,24-,26+,28+/m1/s1

> <INCHI_KEY>
QLHVLXIYCNRUAM-JERVRXFJSA-N

> <FORMULA>
C30H45NO11

> <MOLECULAR_WEIGHT>
595.686

> <EXACT_MASS>
595.299261273

$$$$

HEADER    PROTEIN                                 07-APR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-APR-23         0                                  
HETATM    1  O   UNK     0       2.667  -9.240   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       2.667 -10.780   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334 -11.550   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0       0.000 -10.780   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      -1.334 -11.550   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667 -10.780   0.000  0.00  0.00           C+0
HETATM    7  H   UNK     0      -1.334 -10.010   0.000  0.00  0.00           H+0
HETATM    8  C   UNK     0      -4.001 -11.550   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.335 -10.780   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -6.668 -11.550   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -6.851  -9.507   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.861  -7.793   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.001  -8.470   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -5.335  -6.160   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -6.668  -6.930   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -6.668  -3.850   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -9.336  -3.850   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0     -10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0     -10.669  -6.160   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0     -12.003  -3.850   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0     -13.337  -4.620   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0     -12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0     -10.669  -1.540   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0     -10.669  -0.000   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -8.002  -1.540   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -8.002  -0.000   0.000  0.00  0.00           O+0
HETATM   33  H   UNK     0      -2.667  -7.700   0.000  0.00  0.00           H+0
HETATM   34  O   UNK     0      -2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -1.334 -13.090   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -2.667 -13.860   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       1.334 -13.090   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       4.001 -13.090   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       5.335 -13.860   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       5.335 -10.780   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       6.668 -11.550   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       8.002 -10.780   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       6.668 -13.090   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   38                                                  
CONECT    3    2    4   37                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   35                                                  
CONECT    6    5    7    8   34                                             
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13   14                                             
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   11   15   33   34                                             
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   31                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   29                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   21   27   30                                                  
CONECT   30   29   31   32                                                  
CONECT   31   30   19                                                       
CONECT   32   30                                                            
CONECT   33   14                                                            
CONECT   34   14    6                                                       
CONECT   35    5   36                                                       
CONECT   36   35                                                            
CONECT   37    3                                                            
CONECT   38    2   39   41                                                  
CONECT   39   38   40                                                       
CONECT   40   39                                                            
CONECT   41   38   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   92    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₄₅NO₁₁

Average Mass

595.6860 Da

Monoisotopic Mass

595.29926 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@]1(C[C@@H](O)C(C)(C)[C@@]([H])(C[C@H](O)C[C@H]2CC3=C(C(O)=CC(O)=C3C)C(=O)O2)O1)[C@@H](NC(=O)[C@@H](O)[C@H](CC(C)=C)OC)OC

InChI Identifier

InChI=1S/C30H45NO11/c1-14(2)8-21(39-6)26(36)27(37)31-28(40-7)22-13-23(35)30(4,5)24(42-22)10-16(32)9-17-11-18-15(3)19(33)12-20(34)25(18)29(38)41-17/h12,16-17,21-24,26,28,32-36H,1,8-11,13H2,2-7H3,(H,31,37)/t16-,17+,21+,22+,23-,24-,26+,28+/m1/s1

InChI Key

QLHVLXIYCNRUAM-JERVRXFJSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)	[email protected]	KIOST	Noa Emmelyn Gaudiamo	2026-03-09	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)	[email protected]	KIOST	Noa Emmelyn Gaudiamo	2026-03-09	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Sarcotragus Sarcotragus spinosulus		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 Irciniastatin C (NP0353842)

MOL for NP0353842 (Irciniastatin C)

3D MOL for NP0353842 (Irciniastatin C)

3D SDF for NP0353842 (Irciniastatin C)

3D-SDF for NP0353842 (Irciniastatin C)

PDB for NP0353842 (Irciniastatin C)

3D PDB for NP0353842 (Irciniastatin C)

SMILES for NP0353842 (Irciniastatin C)

INCHI for NP0353842 (Irciniastatin C)

Structure for NP0353842 (Irciniastatin C)

3D Structure for NP0353842 (Irciniastatin C)