NP-MRD: Showing NP-Card for Daphgenkin C (NP0352767)

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Record Information

Version

2.0

Created at

2026-02-15 08:46:11 UTC

Updated at

2026-02-15 12:01:48 UTC

NP-MRD ID

NP0352767

Natural Product DOI

https://doi.org/10.57994/7058

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Daphgenkin C

Description

Daphgenkin C was first documented in 2020 (PMID: 32223193).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03162305592D          

 46 48  0  0  1  0            999 V2000
    0.0446    4.5565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5601    3.9954    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2347    3.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8948    4.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6832    3.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6282    4.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1031    5.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8033    4.7837    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1833    5.5160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3386    5.4654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7511    6.1798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4841    5.5270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2410    6.3154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1986    5.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1986    6.7645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0453    4.9222    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8336    5.1654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9223    4.1065    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2407    4.5712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6368    3.6940    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3513    4.1065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0657    3.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0657    2.8690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7802    4.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4947    3.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2091    4.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9236    3.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6381    4.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3526    3.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0670    4.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7815    3.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4960    4.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6368    2.8690    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4493    3.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9223    2.4565    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9223    1.6315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079    1.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079    0.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5066    1.6315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079    2.8690    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5066    2.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079    3.6940    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4738    3.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9190    2.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7314    1.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3887    1.4617    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  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  6  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  6  0  0  0
 10  8  1  0  0  0  0
 10 11  1  6  0  0  0
 12 10  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  6  0  0  0
 14 15  1  0  0  0  0
 16 12  1  0  0  0  0
 16 17  1  1  0  0  0
 18 16  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  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
 20 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
 35 36  1  6  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 40 35  1  0  0  0  0
 40 41  1  1  0  0  0
 42 40  1  0  0  0  0
 42  2  1  0  0  0  0
 18 42  1  0  0  0  0
 42 43  1  1  0  0  0
 33 44  1  6  0  0  0
 44 45  1  0  0  0  0
 44 46  2  0  0  0  0
M  END


  Mrv2104 03162305592D          

 46 48  0  0  1  0            999 V2000
    0.0446    4.5565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5601    3.9954    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2347    3.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8948    4.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6832    3.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6282    4.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1031    5.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8033    4.7837    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1833    5.5160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3386    5.4654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7511    6.1798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4841    5.5270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2410    6.3154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1986    5.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1986    6.7645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0453    4.9222    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8336    5.1654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9223    4.1065    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2407    4.5712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6368    3.6940    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3513    4.1065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0657    3.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0657    2.8690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7802    4.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4947    3.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2091    4.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9236    3.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6381    4.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3526    3.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0670    4.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7815    3.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4960    4.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6368    2.8690    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4493    3.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9223    2.4565    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9223    1.6315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079    1.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079    0.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5066    1.6315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079    2.8690    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5066    2.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079    3.6940    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4738    3.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9190    2.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7314    1.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3887    1.4617    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  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  6  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  6  0  0  0
 10  8  1  0  0  0  0
 10 11  1  6  0  0  0
 12 10  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  6  0  0  0
 14 15  1  0  0  0  0
 16 12  1  0  0  0  0
 16 17  1  1  0  0  0
 18 16  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  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
 20 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
 35 36  1  6  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 40 35  1  0  0  0  0
 40 41  1  1  0  0  0
 42 40  1  0  0  0  0
 42  2  1  0  0  0  0
 18 42  1  0  0  0  0
 42 43  1  1  0  0  0
 33 44  1  6  0  0  0
 44 45  1  0  0  0  0
 44 46  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0352767

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12C=C(C)C(=O)[C@@]1(O)[C@H](O)[C@](O)(CO)[C@@H](O)[C@@]1([H])[C@@H](OC(=O)\C=C\C=C\CCCCC)[C@@](O)([C@H](OC(C)=O)[C@@H](C)[C@]21O)C(C)=C

> <INCHI_IDENTIFIER>
InChI=1S/C32H46O12/c1-7-8-9-10-11-12-13-14-22(35)44-27-23-25(37)29(39,16-33)28(38)32(42)21(15-18(4)24(32)36)31(23,41)19(5)26(43-20(6)34)30(27,40)17(2)3/h11-15,19,21,23,25-28,33,37-42H,2,7-10,16H2,1,3-6H3/b12-11+,14-13+/t19-,21+,23+,25+,26-,27-,28-,29+,30+,31+,32-/m1/s1

> <INCHI_KEY>
DPBVLNICNRAIBD-ZSNVKQKJSA-N

> <FORMULA>
C32H46O12

> <MOLECULAR_WEIGHT>
622.708

> <EXACT_MASS>
622.298926921

$$$$

HEADER    PROTEIN                                 16-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-MAR-23         0                                  
HETATM    1  H   UNK     0       0.083   8.505   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0      -1.046   7.458   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.305   6.572   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.537   7.495   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.009   7.041   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.039   8.953   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -3.926  10.212   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -1.499   8.930   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -2.209  10.296   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -0.632  10.202   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -1.402  11.536   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       0.904  10.317   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       0.450  11.789   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       2.237  11.087   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       2.237  12.627   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       1.951   9.188   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       3.423   9.642   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       1.722   7.665   0.000  0.00  0.00           C+0
HETATM   19  H   UNK     0       0.449   8.533   0.000  0.00  0.00           H+0
HETATM   20  C   UNK     0       3.055   6.895   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       4.389   7.665   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       5.723   6.895   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       5.723   5.355   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       7.056   7.665   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.390   6.895   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       9.724   7.665   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      11.057   6.895   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      12.391   7.665   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      13.725   6.895   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      15.058   7.665   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      16.392   6.895   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      17.726   7.665   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       3.055   5.355   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       4.572   5.623   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       1.722   4.585   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       1.722   3.045   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       0.388   2.275   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       0.388   0.735   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -0.946   3.045   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       0.388   5.355   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -0.946   4.585   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       0.388   6.895   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      -0.884   6.028   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       3.582   3.908   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       5.099   3.641   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       2.592   2.729   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    8   42                                             
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    2    9   10                                             
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14   16                                             
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14                                                            
CONECT   16   12   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20   42                                             
CONECT   19   18                                                            
CONECT   20   18   21   33                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33   20   34   35   44                                             
CONECT   34   33                                                            
CONECT   35   33   36   40                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40   35   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40    2   18   43                                             
CONECT   43   42                                                            
CONECT   44   33   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44                                                            
MASTER        0    0    0    0    0    0    0    0   46    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₄₆O₁₂

Average Mass

622.7080 Da

Monoisotopic Mass

622.29893 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@@]12C=C(C)C(=O)[C@@]1(O)[C@H](O)[C@](O)(CO)[C@@H](O)[C@@]1([H])[C@@H](OC(=O)\C=C\C=C\CCCCC)[C@@](O)([C@H](OC(C)=O)[C@@H](C)[C@]21O)C(C)=C

InChI Identifier

InChI=1S/C32H46O12/c1-7-8-9-10-11-12-13-14-22(35)44-27-23-25(37)29(39,16-33)28(38)32(42)21(15-18(4)24(32)36)31(23,41)19(5)26(43-20(6)34)30(27,40)17(2)3/h11-15,19,21,23,25-28,33,37-42H,2,7-10,16H2,1,3-6H3/b12-11+,14-13+/t19-,21+,23+,25+,26-,27-,28-,29+,30+,31+,32-/m1/s1

InChI Key

DPBVLNICNRAIBD-ZSNVKQKJSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Daphne genkwa		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 Daphgenkin C (NP0352767)

MOL for NP0352767 (Daphgenkin C)

3D MOL for NP0352767 (Daphgenkin C)

3D SDF for NP0352767 (Daphgenkin C)

3D-SDF for NP0352767 (Daphgenkin C)

PDB for NP0352767 (Daphgenkin C)

3D PDB for NP0352767 (Daphgenkin C)

SMILES for NP0352767 (Daphgenkin C)

INCHI for NP0352767 (Daphgenkin C)

Structure for NP0352767 (Daphgenkin C)

3D Structure for NP0352767 (Daphgenkin C)