NP-MRD: Showing NP-Card for drymariamide F (NP0332780)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2024-04-20 00:47:36 UTC

Updated at

2024-09-03 04:20:17 UTC

NP-MRD ID

NP0332780

Natural Product DOI

https://doi.org/10.57994/2051

Secondary Accession Numbers

None

Natural Product Identification

Common Name

drymariamide F

Description

Diandrine C belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. drymariamide F was first documented in 2019 (PMID: 31531075). Based on a literature review a small amount of articles have been published on Diandrine C (PMID: 35736482) (PMID: 35629891).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 01022303242D          

 48 53  0  0  1  0            999 V2000
    2.2458   -3.0211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1554   -3.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5050   -3.6965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1150   -4.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2904   -4.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7848   -3.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0086   -4.0767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0343   -4.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8265   -5.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0232   -5.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276   -6.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6354   -6.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4388   -5.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3296   -3.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7642   -4.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5888   -4.3463    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0234   -5.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6334   -5.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0680   -6.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6780   -7.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8088   -5.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4188   -6.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8534   -7.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4634   -7.9555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9788   -3.6193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8033   -3.5935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1933   -2.8665    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7587   -2.1652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0637   -1.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7141   -0.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8895   -0.7628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4549   -0.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6303   -0.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2403   -0.8143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8449    0.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9733   -1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2913   -1.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0551   -1.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9946   -2.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2380   -4.2947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3742   -5.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4603   -2.2683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0257   -1.5671    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2245   -1.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1639   -2.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9277   -2.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4157   -0.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9811   -0.1388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 18 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 26  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 32 35  2  0  0  0  0
 29 36  2  0  0  0  0
 28 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 27 39  1  0  0  0  0
 26 40  2  0  0  0  0
 15 41  2  0  0  0  0
  2 42  1  0  0  0  0
 43 42  1  1  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 42 46  1  0  0  0  0
 43 47  1  0  0  0  0
 34 47  1  0  0  0  0
 47 48  2  0  0  0  0
M  END


  Mrv2104 01022303242D          

 48 53  0  0  1  0            999 V2000
    2.2458   -3.0211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1554   -3.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5050   -3.6965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1150   -4.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2904   -4.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7848   -3.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0086   -4.0767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0343   -4.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8265   -5.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0232   -5.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276   -6.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6354   -6.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4388   -5.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3296   -3.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7642   -4.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5888   -4.3463    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0234   -5.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6334   -5.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0680   -6.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6780   -7.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8088   -5.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4188   -6.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8534   -7.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4634   -7.9555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9788   -3.6193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8033   -3.5935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1933   -2.8665    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7587   -2.1652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0637   -1.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7141   -0.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8895   -0.7628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4549   -0.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6303   -0.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2403   -0.8143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8449    0.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9733   -1.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2913   -1.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0551   -1.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9946   -2.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2380   -4.2947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3742   -5.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4603   -2.2683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0257   -1.5671    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2245   -1.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1639   -2.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9277   -2.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4157   -0.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9811   -0.1388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 18 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 26  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 32 35  2  0  0  0  0
 29 36  2  0  0  0  0
 28 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 27 39  1  0  0  0  0
 26 40  2  0  0  0  0
 15 41  2  0  0  0  0
  2 42  1  0  0  0  0
 43 42  1  1  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 42 46  1  0  0  0  0
 43 47  1  0  0  0  0
 34 47  1  0  0  0  0
 47 48  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0332780

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=CC=C(C[C@@H]2NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](CC3=CNC4=C3C=CC=C4)NC2=O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C34H39N7O7/c42-22-11-9-20(10-12-22)15-25-31(45)39-26(16-21-17-35-24-6-2-1-5-23(21)24)34(48)41-14-4-7-27(41)32(46)37-18-29(43)36-19-30(44)40-13-3-8-28(40)33(47)38-25/h1-2,5-6,9-12,17,25-28,35,42H,3-4,7-8,13-16,18-19H2,(H,36,43)(H,37,46)(H,38,47)(H,39,45)/t25-,26-,27-,28-/m0/s1

> <INCHI_KEY>
UNZWCGCAIHGKSR-LJWNLINESA-N

> <FORMULA>
C34H39N7O7

> <MOLECULAR_WEIGHT>
657.728

> <EXACT_MASS>
657.291096624

$$$$

HEADER    PROTEIN                                 02-JAN-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-JAN-23         0                                  
HETATM    1  O   UNK     0       4.192  -5.639   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       5.890  -5.740   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.543  -6.900   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.815  -8.257   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.275  -8.305   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.332  -7.088   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       1.883  -7.610   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       1.931  -9.149   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.410  -9.579   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.777 -11.075   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.665 -12.140   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.186 -11.710   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.819 -10.215   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       8.082  -6.852   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       8.893  -8.161   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.432  -8.113   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      11.244  -9.422   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.516 -10.779   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.327 -12.088   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.599 -13.445   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.976 -10.827   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.248 -12.184   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.060 -13.493   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       8.332 -14.850   0.000  0.00  0.00           O+0
HETATM   25  N   UNK     0      11.160  -6.756   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0      12.700  -6.708   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      13.428  -5.351   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0      12.616  -4.042   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0      13.186  -2.536   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      12.533  -1.376   0.000  0.00  0.00           C+0
HETATM   31  N   UNK     0      10.994  -1.424   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0      10.182  -0.115   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       8.643  -0.163   0.000  0.00  0.00           C+0
HETATM   34  N   UNK     0       7.915  -1.520   0.000  0.00  0.00           N+0
HETATM   35  O   UNK     0      10.910   1.242   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      14.884  -2.637   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      13.611  -2.866   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      15.036  -3.448   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      14.923  -4.984   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      13.511  -8.017   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       8.165  -9.518   0.000  0.00  0.00           O+0
HETATM   42  N   UNK     0       6.459  -4.234   0.000  0.00  0.00           N+0
HETATM   43  C   UNK     0       5.648  -2.925   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       4.152  -3.292   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       4.039  -4.828   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       5.465  -5.410   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       6.376  -1.568   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0       5.565  -0.259   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   42                                                  
CONECT    3    2    4   14                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    9                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   13                                                  
CONECT    9    8    5   10                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    8                                                       
CONECT   14    3   15                                                       
CONECT   15   14   16   41                                                  
CONECT   16   15   17   25                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   21                                                  
CONECT   19   18   20                                                       
CONECT   20   19   23                                                       
CONECT   21   18   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   20   24                                                  
CONECT   24   23                                                            
CONECT   25   16   26                                                       
CONECT   26   25   27   40                                                  
CONECT   27   26   28   39                                                  
CONECT   28   27   29   37                                                  
CONECT   29   28   30   36                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   35                                                  
CONECT   33   32   34                                                       
CONECT   34   33   47                                                       
CONECT   35   32                                                            
CONECT   36   29                                                            
CONECT   37   28   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   27                                                       
CONECT   40   26                                                            
CONECT   41   15                                                            
CONECT   42    2   43   46                                                  
CONECT   43   42   44   47                                                  
CONECT   44   43   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   42                                                       
CONECT   47   43   34   48                                                  
CONECT   48   47                                                            
MASTER        0    0    0    0    0    0    0    0   48    0  106    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₃₉N₇O₇

Average Mass

657.7280 Da

Monoisotopic Mass

657.29110 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

OC1=CC=C(C[C@@H]2NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](CC3=CNC4=C3C=CC=C4)NC2=O)C=C1

InChI Identifier

InChI=1S/C34H39N7O7/c42-22-11-9-20(10-12-22)15-25-31(45)39-26(16-21-17-35-24-6-2-1-5-23(21)24)34(48)41-14-4-7-27(41)32(46)37-18-29(43)36-19-30(44)40-13-3-8-28(40)33(47)38-25/h1-2,5-6,9-12,17,25-28,35,42H,3-4,7-8,13-16,18-19H2,(H,36,43)(H,37,46)(H,38,47)(H,39,45)/t25-,26-,27-,28-/m0/s1

InChI Key

UNZWCGCAIHGKSR-LJWNLINESA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, C5D5N, experimental)	s19-zhangzongyi@simm.ac.cn	SIMM, CAS	zzy970618	2024-04-20	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)	s19-zhangzongyi@simm.ac.cn	SIMM, CAS	zzy970618	2024-04-20	View Spectrum
1D_DEPT NMR	¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)	s19-zhangzongyi@simm.ac.cn	SIMM, CAS	zzy970618	2024-04-20	View Spectrum
MLEV NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)	s19-zhangzongyi@simm.ac.cn	SIMM, CAS	zzy970618	2024-04-20	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)	s19-zhangzongyi@simm.ac.cn	SIMM, CAS	zzy970618	2024-04-20	View Spectrum
ROESY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	s19-zhangzongyi@simm.ac.cn	SIMM, CAS	zzy970618	2024-04-20	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)	s19-zhangzongyi@simm.ac.cn	SIMM, CAS	zzy970618	2024-04-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, C5D5N, experimental)	s19-zhangzongyi@simm.ac.cn	SIMM, CAS	zzy970618	2024-04-20	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Drymaria Drymaria cordata		Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Cyclic alpha peptide
Macrolactam
Alpha-amino acid or derivatives
3-alkylindole
Indole
Indole or derivatives
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Substituted pyrrole
Benzenoid
Heteroaromatic compound
Pyrrole
Pyrrolidine
Tertiary carboxylic acid amide
Lactam
Carboxamide group
Secondary carboxylic acid amide
Azacycle
Organoheterocyclic compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

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

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101341957

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Liao HJ, Tzen JTC: Investigating Potential GLP-1 Receptor Agonists in Cyclopeptides from Pseudostellaria heterophylla, Linum usitatissimum, and Drymaria diandra, and Peptides Derived from Heterophyllin B for the Treatment of Type 2 Diabetes: An In Silico Study. Metabolites. 2022 Jun 15;12(6):549. doi: 10.3390/metabo12060549. [PubMed:35736482 ]
Liao HJ, Tzen JTC: The Potential Role of Cyclopeptides from Pseudostellaria heterophylla, Linum usitatissimum and Drymaria diandra, and Peptides Derived from Heterophyllin B as Dipeptidyl Peptidase IV Inhibitors for the Treatment of Type 2 Diabetes: An In Silico Study. Metabolites. 2022 Apr 24;12(5):387. doi: 10.3390/metabo12050387. [PubMed:35629891 ]
Dahiya R, Singh S, Varghese Gupta S, Sutariya VB, Bhatia D, Mourya R, Chennupati SV, Sharma A: First Total Synthesis and Pharmacological Potential of a Plant Based Hexacyclopeptide. Iran J Pharm Res. 2019 Spring;18(2):938-947. doi: 10.22037/ijpr.2019.1100643. [PubMed:31531075 ]

Showing NP-Card for drymariamide F (NP0332780)

MOL for NP0332780 (drymariamide F)

3D MOL for NP0332780 (drymariamide F)

3D SDF for NP0332780 (drymariamide F)

3D-SDF for NP0332780 (drymariamide F)

PDB for NP0332780 (drymariamide F)

3D PDB for NP0332780 (drymariamide F)

SMILES for NP0332780 (drymariamide F)

INCHI for NP0332780 (drymariamide F)

Structure for NP0332780 (drymariamide F)

3D Structure for NP0332780 (drymariamide F)