NP-MRD: Showing NP-Card for Euphodeflexin H (NP0353563)

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Record Information

Version

2.0

Created at

2026-02-23 21:58:25 UTC

Updated at

2026-02-24 00:01:40 UTC

NP-MRD ID

NP0353563

Natural Product DOI

https://doi.org/10.57994/8101

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Euphodeflexin H

Description

Euphodeflexin H was first documented in 2021 (PMID: 34665635).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03242319102D          

 40 42  0  0  1  0            999 V2000
    1.0823   -0.8177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2890   -1.0443    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4913   -1.3120    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7334   -2.1007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5374   -2.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7795   -3.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0995   -1.6815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9871   -0.6526    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8120   -0.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5132    0.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2755   -0.2194    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0328    0.5459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8496    0.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3582    0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1578    1.4268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6762    0.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0834    1.0755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3838    0.9259    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3703    1.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1050    0.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9299    0.5387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3540   -0.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8739    0.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1338   -0.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3675   -0.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1678   -1.1943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9668   -1.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2592   -2.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4343   -2.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2338   -2.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7131   -1.7519    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1394   -2.3447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660   -3.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1662   -3.3384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2078   -3.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0188   -4.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5549   -5.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3552   -4.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5818   -4.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0080   -3.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 11 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 16  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 29  1  0  0  0  0
  2 31  1  0  0  0  0
 31 32  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 35 40  1  0  0  0  0
M  END


  Mrv2104 03242319102D          

 40 42  0  0  1  0            999 V2000
    1.0823   -0.8177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2890   -1.0443    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4913   -1.3120    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7334   -2.1007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5374   -2.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7795   -3.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0995   -1.6815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9871   -0.6526    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8120   -0.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5132    0.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2755   -0.2194    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0328    0.5459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8496    0.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3582    0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1578    1.4268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6762    0.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0834    1.0755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3838    0.9259    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3703    1.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1050    0.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9299    0.5387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3540   -0.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8739    0.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1338   -0.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3675   -0.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1678   -1.1943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9668   -1.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2592   -2.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4343   -2.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2338   -2.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7131   -1.7519    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1394   -2.3447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660   -3.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1662   -3.3384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2078   -3.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0188   -4.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5549   -5.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3552   -4.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5818   -4.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0080   -3.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 11 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 16  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 29  1  0  0  0  0
  2 31  1  0  0  0  0
 31 32  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 35 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0353563

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]12[C@H](OC(C)=O)[C@@H](C)C[C@]1(OC(C)=O)C(=O)[C@@H](C)\C=C\C(C)(C)C(=O)CCC(=C)[C@H]2OC(=O)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C31H38O8/c1-18-13-14-24(34)30(6,7)16-15-19(2)28(35)31(39-22(5)33)17-20(3)27(37-21(4)32)25(31)26(18)38-29(36)23-11-9-8-10-12-23/h8-12,15-16,19-20,25-27H,1,13-14,17H2,2-7H3/b16-15+/t19-,20-,25-,26+,27+,31+/m0/s1

> <INCHI_KEY>
BFXRNKBNDOHJMU-OQSKTEHBSA-N

> <FORMULA>
C31H38O8

> <MOLECULAR_WEIGHT>
538.637

> <EXACT_MASS>
538.256668184

$$$$

HEADER    PROTEIN                                 24-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-MAR-23         0                                  
HETATM    1  H   UNK     0       2.020  -1.526   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0       0.539  -1.949   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.917  -2.449   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -1.369  -3.921   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -2.870  -4.266   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.322  -5.738   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -3.919  -3.139   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -1.843  -1.218   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.382  -1.243   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.958   0.042   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.514  -0.409   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -0.061   1.019   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -1.586   1.235   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.535   0.022   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -2.161   2.663   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       1.262   0.937   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       0.156   2.008   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       2.583   1.728   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.558   3.268   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.929   0.980   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.469   1.006   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.261  -0.315   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.231   0.880   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.716  -0.818   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.286  -1.855   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       7.780  -2.229   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       5.538  -3.201   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       4.217  -3.993   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.677  -4.018   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.303  -5.512   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.331  -3.270   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       0.260  -4.377   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       0.683  -5.858   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       2.177  -6.232   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -0.388  -6.964   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       0.035  -8.445   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -1.036  -9.552   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -2.530  -9.178   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -2.953  -7.697   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -1.882  -6.590   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   11   31                                             
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    3    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10    2   12   16                                             
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   11   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24   25                                             
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   22   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29    2   32                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   40                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   35                                                       
MASTER        0    0    0    0    0    0    0    0   40    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₃₈O₈

Average Mass

538.6370 Da

Monoisotopic Mass

538.25667 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@]12[C@H](OC(C)=O)[C@@H](C)C[C@]1(OC(C)=O)C(=O)[C@@H](C)\C=C\C(C)(C)C(=O)CCC(=C)[C@H]2OC(=O)C1=CC=CC=C1

InChI Identifier

InChI=1S/C31H38O8/c1-18-13-14-24(34)30(6,7)16-15-19(2)28(35)31(39-22(5)33)17-20(3)27(37-21(4)32)25(31)26(18)38-29(36)23-11-9-8-10-12-23/h8-12,15-16,19-20,25-27H,1,13-14,17H2,2-7H3/b16-15+/t19-,20-,25-,26+,27+,31+/m0/s1

InChI Key

BFXRNKBNDOHJMU-OQSKTEHBSA-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, 600.0, Chloroform-d, simulated)	[email protected]	Not Available	Not Available	2026-02-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150.0, Chloroform-d, simulated)	[email protected]	Not Available	Not Available	2026-02-23	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Euphorbia deflexa		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 Euphodeflexin H (NP0353563)

MOL for NP0353563 (Euphodeflexin H)

3D MOL for NP0353563 (Euphodeflexin H)

3D SDF for NP0353563 (Euphodeflexin H)

3D-SDF for NP0353563 (Euphodeflexin H)

PDB for NP0353563 (Euphodeflexin H)

3D PDB for NP0353563 (Euphodeflexin H)

SMILES for NP0353563 (Euphodeflexin H)

INCHI for NP0353563 (Euphodeflexin H)

Structure for NP0353563 (Euphodeflexin H)

3D Structure for NP0353563 (Euphodeflexin H)