NP-MRD: Showing NP-Card for Euphodeflexin C (NP0353549)

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Record Information

Version

2.0

Created at

2026-02-23 19:50:36 UTC

Updated at

2026-02-23 20:08:34 UTC

NP-MRD ID

NP0353549

Natural Product DOI

https://doi.org/10.57994/8086

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Euphodeflexin C

Description

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

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03242317022D          

 58 61  0  0  1  0            999 V2000
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M  END


  Mrv2104 03242317022D          

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M  END
> <DATABASE_ID>
NP0353549

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12[C@H](OC(=O)C3=CC=CC=C3)[C@@](C)(OC(C)=O)[C@H](OC(=O)C3=CC=CC=C3)[C@@]1(O)[C@H](OC(C)=O)[C@H](C)\C=C\C(C)(C)[C@@H](O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C)[C@H]2O

> <INCHI_IDENTIFIER>
InChI=1S/C42H50O15/c1-22-20-21-40(7,8)34(48)33(53-25(4)44)32(52-24(3)43)23(2)31(47)30-36(55-37(49)28-16-12-10-13-17-28)41(9,57-27(6)46)39(42(30,51)35(22)54-26(5)45)56-38(50)29-18-14-11-15-19-29/h10-22,30-36,39,47-48,51H,2H2,1,3-9H3/b21-20+/t22-,30-,31-,32-,33+,34+,35-,36+,39+,41-,42+/m1/s1

> <INCHI_KEY>
AEGMPQZMIMDVRU-GAKDAQHISA-N

> <FORMULA>
C42H50O15

> <MOLECULAR_WEIGHT>
794.847

> <EXACT_MASS>
794.31497091

$$$$

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  O   UNK     0      -3.919  -3.139   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -3.322  -5.738   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.273  -6.866   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.724  -8.338   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.225  -8.683   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.274  -7.555   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.823  -6.083   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.843  -1.218   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.004  -0.207   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -2.970  -2.267   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -4.442  -1.815   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.570  -2.865   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -4.787  -0.315   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -0.958   0.042   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -1.458   1.499   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -2.969   1.794   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -3.981   0.633   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -3.469   3.251   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -4.980   3.547   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -5.480   5.003   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -4.469   6.164   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.957   5.869   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -2.457   4.412   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.514  -0.409   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -0.061   1.019   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       1.262   0.937   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       0.156   2.008   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       0.530   3.501   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.011   3.924   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -0.577   4.572   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       2.583   1.728   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       2.558   3.268   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       3.929   0.980   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       5.469   1.006   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       6.261  -0.315   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       7.231   0.880   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       7.716  -0.818   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       6.286  -1.855   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0       7.780  -2.229   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0       5.538  -3.201   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       6.645  -4.272   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0       8.125  -3.849   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       8.500  -2.355   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0       9.232  -4.920   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0       4.217  -3.993   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0       4.640  -5.474   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0       3.569  -6.580   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       2.075  -6.206   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0       3.992  -8.061   0.000  0.00  0.00           O+0
HETATM   55  C   UNK     0       2.677  -4.018   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       2.303  -5.512   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0       1.331  -3.270   0.000  0.00  0.00           C+0
HETATM   58  O   UNK     0       0.260  -4.377   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   29   57                                             
CONECT    3    2    4   13                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   12                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11    7                                                       
CONECT   13    3   14   15   19                                             
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   13   20   29                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   23                                                       
CONECT   29   19    2   30   31                                             
CONECT   30   29                                                            
CONECT   31   29   32   36                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   31   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41   42   43                                             
CONECT   41   40                                                            
CONECT   42   40                                                            
CONECT   43   40   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43   46   50                                                  
CONECT   46   45   47                                                       
CONECT   47   46   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47                                                            
CONECT   50   45   51   55                                                  
CONECT   51   50   52                                                       
CONECT   52   51   53   54                                                  
CONECT   53   52                                                            
CONECT   54   52                                                            
CONECT   55   50   56   57                                                  
CONECT   56   55                                                            
CONECT   57   55    2   58                                                  
CONECT   58   57                                                            
MASTER        0    0    0    0    0    0    0    0   58    0  122    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₂H₅₀O₁₅

Average Mass

794.8470 Da

Monoisotopic Mass

794.31497 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@@]12[C@H](OC(=O)C3=CC=CC=C3)[C@@](C)(OC(C)=O)[C@H](OC(=O)C3=CC=CC=C3)[C@@]1(O)[C@H](OC(C)=O)[C@H](C)\C=C\C(C)(C)[C@@H](O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C)[C@H]2O

InChI Identifier

InChI=1S/C42H50O15/c1-22-20-21-40(7,8)34(48)33(53-25(4)44)32(52-24(3)43)23(2)31(47)30-36(55-37(49)28-16-12-10-13-17-28)41(9,57-27(6)46)39(42(30,51)35(22)54-26(5)45)56-38(50)29-18-14-11-15-19-29/h10-22,30-36,39,47-48,51H,2H2,1,3-9H3/b21-20+/t22-,30-,31-,32-,33+,34+,35-,36+,39+,41-,42+/m1/s1

InChI Key

AEGMPQZMIMDVRU-GAKDAQHISA-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 C (NP0353549)

MOL for NP0353549 (Euphodeflexin C)

3D MOL for NP0353549 (Euphodeflexin C)

3D SDF for NP0353549 (Euphodeflexin C)

3D-SDF for NP0353549 (Euphodeflexin C)

PDB for NP0353549 (Euphodeflexin C)

3D PDB for NP0353549 (Euphodeflexin C)

SMILES for NP0353549 (Euphodeflexin C)

INCHI for NP0353549 (Euphodeflexin C)

Structure for NP0353549 (Euphodeflexin C)

3D Structure for NP0353549 (Euphodeflexin C)