NP-MRD: Showing NP-Card for Cordiasecoside F (NP0353623)

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Record Information

Version

2.0

Created at

2026-02-24 06:56:42 UTC

Updated at

2026-02-24 08:01:31 UTC

NP-MRD ID

NP0353623

Natural Product DOI

https://doi.org/10.57994/8162

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Cordiasecoside F

Description

Cordiasecoside F was first documented in 2019 (PMID: 31800248).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03252304082D          

 46 50  0  0  1  0            999 V2000
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M  END


  Mrv2104 03252304082D          

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   -1.0341   -2.0813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2846   -2.4261    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3176   -1.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4562   -1.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3511   -1.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7907   -2.0166    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6157   -2.0083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1412   -1.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9436   -1.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0353623

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@]4([H])[C@H](C)[C@H](CC[C@]4(O)CC3=CC[C@]12C)O[C@H]1OC[C@H](O)[C@H](O)[C@H]1O)[C@H](C)C[C@@H](O)C(=C/C)\C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C36H60O7/c1-8-24(20(2)3)28(37)17-21(4)25-12-15-35(7)27-10-9-26-22(5)30(43-33-32(40)31(39)29(38)19-42-33)13-16-36(26,41)18-23(27)11-14-34(25,35)6/h8,11,20-22,25-33,37-41H,9-10,12-19H2,1-7H3/b24-8-/t21-,22+,25-,26+,27-,28-,29+,30+,31+,32-,33-,34-,35+,36+/m1/s1

> <INCHI_KEY>
ADIUVECCDQHSMA-QNWHUODFSA-N

> <FORMULA>
C36H60O7

> <MOLECULAR_WEIGHT>
604.869

> <EXACT_MASS>
604.433904272

$$$$

HEADER    PROTEIN                                 25-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-MAR-23         0                                  
HETATM    1  H   UNK     0      -1.930  -3.885   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0      -0.531  -4.529   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.593  -2.990   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.852  -2.456   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.806  -3.665   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.522  -2.301   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.343  -3.764   0.000  0.00  0.00           C+0
HETATM    8  H   UNK     0       4.883  -3.749   0.000  0.00  0.00           H+0
HETATM    9  C   UNK     0       3.997  -2.370   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.495  -2.012   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.708  -2.961   0.000  0.00  0.00           C+0
HETATM   12  H   UNK     0       5.328  -3.643   0.000  0.00  0.00           H+0
HETATM   13  C   UNK     0       8.034  -2.177   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.019  -0.637   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.376  -2.934   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.391  -4.474   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.065  -5.257   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.724  -4.500   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       6.854  -6.035   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       5.530  -5.473   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.025  -5.145   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.170  -6.426   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.633  -6.326   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.951  -4.946   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.033  -6.130   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      10.701  -2.150   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      12.043  -2.907   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      13.369  -2.124   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      14.710  -2.880   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      14.725  -4.420   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      16.067  -5.177   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      13.400  -5.203   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      13.415  -6.743   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      12.058  -4.447   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      10.732  -5.230   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -1.740  -5.483   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -1.518  -7.007   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -3.171  -4.913   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -4.379  -5.868   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -4.157  -7.392   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      -5.810  -5.298   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -7.019  -6.252   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -6.797  -7.776   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -6.032  -3.774   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -7.463  -3.204   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      -4.824  -2.820   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   24   36                                             
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7   24                                             
CONECT    6    5                                                            
CONECT    7    5    8    9   21                                             
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13   18                                             
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   26                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   11   19   20                                             
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20    7   22                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23    2    5   25                                             
CONECT   25   24                                                            
CONECT   26   15   27                                                       
CONECT   27   26   28   34                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   27   35                                                  
CONECT   35   34                                                            
CONECT   36    2   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42   44                                                  
CONECT   42   41   43                                                       
CONECT   43   42                                                            
CONECT   44   41   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44                                                            
MASTER        0    0    0    0    0    0    0    0   46    0  100    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₆₀O₇

Average Mass

604.8690 Da

Monoisotopic Mass

604.43390 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@]4([H])[C@H](C)[C@H](CC[C@]4(O)CC3=CC[C@]12C)O[C@H]1OC[C@H](O)[C@H](O)[C@H]1O)[C@H](C)C[C@@H](O)C(=C/C)\C(C)C

InChI Identifier

InChI=1S/C36H60O7/c1-8-24(20(2)3)28(37)17-21(4)25-12-15-35(7)27-10-9-26-22(5)30(43-33-32(40)31(39)29(38)19-42-33)13-16-36(26,41)18-23(27)11-14-34(25,35)6/h8,11,20-22,25-33,37-41H,9-10,12-19H2,1-7H3/b24-8-/t21-,22+,25-,26+,27-,28-,29+,30+,31+,32-,33-,34-,35+,36+/m1/s1

InChI Key

ADIUVECCDQHSMA-QNWHUODFSA-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, CDCl₃–Methanol-d4 (9:1), simulated)	epoynton@sfu.ca	Not Available	Not Available	2026-02-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125.0, CDCl₃–Methanol-d4 (9:1), simulated)	epoynton@sfu.ca	Not Available	Not Available	2026-02-24	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Cordia lutea		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 Cordiasecoside F (NP0353623)

MOL for NP0353623 (Cordiasecoside F)

3D MOL for NP0353623 (Cordiasecoside F)

3D SDF for NP0353623 (Cordiasecoside F)

3D-SDF for NP0353623 (Cordiasecoside F)

PDB for NP0353623 (Cordiasecoside F)

3D PDB for NP0353623 (Cordiasecoside F)

SMILES for NP0353623 (Cordiasecoside F)

INCHI for NP0353623 (Cordiasecoside F)

Structure for NP0353623 (Cordiasecoside F)

3D Structure for NP0353623 (Cordiasecoside F)