NP-MRD: Showing NP-Card for Ascomylactam C (NP0353224)

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Record Information

Version

2.0

Created at

2026-02-19 06:51:05 UTC

Updated at

2026-02-19 08:01:10 UTC

NP-MRD ID

NP0353224

Natural Product DOI

https://doi.org/10.57994/7653

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Ascomylactam C

Description

Ascomylactam C was first documented in 2019 (PMID: 31251621).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03202304032D          

 44 51  0  0  1  0            999 V2000
   -0.5225   -3.1208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3670   -2.3105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1693   -2.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7370   -1.9041    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5392   -2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5023   -1.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.9209    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4654   -0.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1324   -1.5196    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9347   -1.7119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7019   -1.5043    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6391   -0.6343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1012    0.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6203   -0.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4359   -0.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6837   -0.4697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6003   -1.5818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2570   -2.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6620   -3.0657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4296   -2.2448    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.6680   -2.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8842   -3.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6128   -1.7490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3248   -2.7985    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.4062   -3.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6915   -5.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8337   -3.5199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5664   -3.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034    0.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4789    0.8456    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
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  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
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  7  8  1  6  0  0  0
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 13 14  2  0  0  0  0
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 18 17  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 21  1  0  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 18  1  0  0  0  0
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 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 26  1  1  0  0  0
 29 28  1  0  0  0  0
 11 29  1  0  0  0  0
 29 30  1  1  0  0  0
 31 29  1  0  0  0  0
  2 31  1  0  0  0  0
 31 32  1  6  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 36 35  1  0  0  0  0
 36 37  1  6  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 41 40  1  0  0  0  0
 28 41  1  0  0  0  0
 41 35  1  0  0  0  0
 41 42  1  6  0  0  0
 16 43  1  0  0  0  0
 43 44  2  0  0  0  0
 13 44  1  0  0  0  0
M  END


  Mrv2104 03202304032D          

 44 51  0  0  1  0            999 V2000
   -0.5225   -3.1208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3670   -2.3105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1693   -2.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7370   -1.9041    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5392   -2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5023   -1.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000   -0.9209    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4654   -0.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1324   -1.5196    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9347   -1.7119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7019   -1.5043    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6391   -0.6343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1012    0.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6203   -0.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4359   -0.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8246    0.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5813   -0.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0202   -0.9599    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6837   -0.4697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6003   -1.5818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2570   -2.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6620   -3.0657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4296   -2.2448    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0897   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3311   -1.4257    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6680   -2.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8842   -3.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8060   -2.6837    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0080   -2.3101    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6128   -1.7490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3248   -2.7985    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0759   -3.1398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4062   -3.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2688   -4.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1565   -3.9911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3954   -4.7808    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8970   -5.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2203   -4.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6915   -5.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4911   -4.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8337   -3.5199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5664   -3.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034    0.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4789    0.8456    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
  7  6  1  0  0  0  0
  7  8  1  6  0  0  0
  9  7  1  0  0  0  0
  9  2  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 21  1  0  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 18  1  0  0  0  0
 25 23  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 26  1  1  0  0  0
 29 28  1  0  0  0  0
 11 29  1  0  0  0  0
 29 30  1  1  0  0  0
 31 29  1  0  0  0  0
  2 31  1  0  0  0  0
 31 32  1  6  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 36 35  1  0  0  0  0
 36 37  1  6  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 41 40  1  0  0  0  0
 28 41  1  0  0  0  0
 41 35  1  0  0  0  0
 41 42  1  6  0  0  0
 16 43  1  0  0  0  0
 43 44  2  0  0  0  0
 13 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0353224

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12C[C@H](C)C[C@H](C)[C@@]1([H])[C@H]1OC3=CC=C(C[C@]4(O)NC(=O)[C@]5(O[C@@H]45)C(=O)[C@@H]4[C@]1([H])[C@@]2([H])C(C)=C1[C@@H](C)C(C)=C[C@]41C)C=C3

> <INCHI_IDENTIFIER>
InChI=1S/C34H41NO5/c1-15-11-16(2)23-22(12-15)24-19(5)26-18(4)17(3)13-32(26,6)27-25(24)28(23)39-21-9-7-20(8-10-21)14-33(38)30-34(40-30,29(27)36)31(37)35-33/h7-10,13,15-16,18,22-25,27-28,30,38H,11-12,14H2,1-6H3,(H,35,37)/t15-,16+,18+,22-,23-,24+,25+,27+,28-,30+,32+,33-,34+/m1/s1

> <INCHI_KEY>
NQFJAFJMOUIAAX-RJZVCYLWSA-N

> <FORMULA>
C34H41NO5

> <MOLECULAR_WEIGHT>
543.704

> <EXACT_MASS>
543.298473424

$$$$

HEADER    PROTEIN                                 20-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-MAR-23         0                                  
HETATM    1  H   UNK     0      -0.975  -5.825   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0      -0.685  -4.313   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.183  -4.672   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.242  -3.554   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.740  -3.913   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.804  -2.078   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.307  -1.719   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.869  -0.243   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.247  -2.837   0.000  0.00  0.00           C+0
HETATM   10  H   UNK     0      -1.745  -3.195   0.000  0.00  0.00           H+0
HETATM   11  C   UNK     0       1.310  -2.808   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       1.193  -1.184   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.056   0.174   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.024  -1.038   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.547  -0.899   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.273   0.453   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.685  -0.368   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.504  -1.792   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       8.743  -0.877   0.000  0.00  0.00           O+0
HETATM   20  N   UNK     0       8.587  -2.953   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0       7.946  -4.381   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       8.702  -5.723   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       6.402  -4.190   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       7.634  -3.267   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       6.218  -2.661   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.980  -4.912   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       5.384  -6.398   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       3.371  -5.010   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.882  -4.312   0.000  0.00  0.00           C+0
HETATM   30  H   UNK     0       3.011  -3.265   0.000  0.00  0.00           H+0
HETATM   31  C   UNK     0       0.606  -5.224   0.000  0.00  0.00           C+0
HETATM   32  H   UNK     0       2.008  -5.861   0.000  0.00  0.00           H+0
HETATM   33  C   UNK     0       0.758  -6.786   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -0.502  -7.671   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       2.159  -7.450   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.605  -8.924   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       1.674 -10.151   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.145  -8.956   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       5.024 -10.220   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       4.650  -7.501   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       3.423  -6.571   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       4.791  -5.863   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       4.300   1.698   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       2.761   1.578   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    9   31                                             
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7    2   10   11                                             
CONECT   10    9                                                            
CONECT   11    9   12   29                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   44                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   43                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20   25                                             
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25   26                                             
CONECT   24   23   25                                                       
CONECT   25   24   18   23                                                  
CONECT   26   23   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   41                                                  
CONECT   29   28   11   30   31                                             
CONECT   30   29                                                            
CONECT   31   29    2   32   33                                             
CONECT   32   31                                                            
CONECT   33   31   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   41                                                  
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41                                                       
CONECT   41   40   28   35   42                                             
CONECT   42   41                                                            
CONECT   43   16   44                                                       
CONECT   44   43   13                                                       
MASTER        0    0    0    0    0    0    0    0   44    0  102    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₄₁NO₅

Average Mass

543.7040 Da

Monoisotopic Mass

543.29847 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@@]12C[C@H](C)C[C@H](C)[C@@]1([H])[C@H]1OC3=CC=C(C[C@]4(O)NC(=O)[C@]5(O[C@@H]45)C(=O)[C@@H]4[C@]1([H])[C@@]2([H])C(C)=C1[C@@H](C)C(C)=C[C@]41C)C=C3

InChI Identifier

InChI=1S/C34H41NO5/c1-15-11-16(2)23-22(12-15)24-19(5)26-18(4)17(3)13-32(26,6)27-25(24)28(23)39-21-9-7-20(8-10-21)14-33(38)30-34(40-30,29(27)36)31(37)35-33/h7-10,13,15-16,18,22-25,27-28,30,38H,11-12,14H2,1-6H3,(H,35,37)/t15-,16+,18+,22-,23-,24+,25+,27+,28-,30+,32+,33-,34+/m1/s1

InChI Key

NQFJAFJMOUIAAX-RJZVCYLWSA-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, 500.0, Methanol-d4, simulated)	[email protected]	Not Available	Not Available	2026-02-19	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125.0, Methanol-d4, simulated)	[email protected]	Not Available	Not Available	2026-02-19	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Didymella sp. CYSK-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 Ascomylactam C (NP0353224)

MOL for NP0353224 (Ascomylactam C)

3D MOL for NP0353224 (Ascomylactam C)

3D SDF for NP0353224 (Ascomylactam C)

3D-SDF for NP0353224 (Ascomylactam C)

PDB for NP0353224 (Ascomylactam C)

3D PDB for NP0353224 (Ascomylactam C)

SMILES for NP0353224 (Ascomylactam C)

INCHI for NP0353224 (Ascomylactam C)

Structure for NP0353224 (Ascomylactam C)

3D Structure for NP0353224 (Ascomylactam C)