NP-MRD: Showing NP-Card for Centiplide F (NP0353661)

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Record Information

Version

2.0

Created at

2026-02-24 12:05:30 UTC

Updated at

2026-02-24 16:01:24 UTC

NP-MRD ID

NP0353661

Natural Product DOI

https://doi.org/10.57994/8200

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Centiplide F

Description

Centiplide F was first documented in 2021 (PMID: 33533247).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03252309172D          

 32 34  0  0  1  0            999 V2000
    1.3110    0.3110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6352   -0.4476    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1496    0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9746    0.1974    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3326    0.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4890   -0.4476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6847   -0.6312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3107   -0.3737    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6349   -1.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0136   -1.6751    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0876   -2.4968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4130   -2.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6644   -2.6248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4869   -3.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355   -4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8123   -4.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3054   -1.2519    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2684   -2.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5621   -1.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8188   -1.2519    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4638   -0.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1106   -1.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0366   -2.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4893   -1.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3150   -1.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8136   -0.3737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7338    0.3346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5587    0.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9605   -0.3983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9819    1.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5801    1.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8068    1.0181    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
  4  3  1  0  0  0  0
  4  5  1  1  0  0  0
  6  4  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 17 10  1  0  0  0  0
  6 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 20 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 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
 24 26  1  0  0  0  0
  2 26  1  0  0  0  0
  8 27  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END


  Mrv2104 03252309172D          

 32 34  0  0  1  0            999 V2000
    1.3110    0.3110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6352   -0.4476    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1496    0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9746    0.1974    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3326    0.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4890   -0.4476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6847   -0.6312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3107   -0.3737    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6349   -1.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0136   -1.6751    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0876   -2.4968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4130   -2.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6644   -2.6248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4869   -3.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355   -4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8123   -4.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3054   -1.2519    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2684   -2.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5621   -1.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8188   -1.2519    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4638   -0.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1106   -1.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0366   -2.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4893   -1.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3150   -1.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8136   -0.3737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7338    0.3346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5587    0.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9605   -0.3983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9819    1.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5801    1.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8068    1.0181    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
  4  3  1  0  0  0  0
  4  5  1  1  0  0  0
  6  4  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 17 10  1  0  0  0  0
  6 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 20 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 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
 24 26  1  0  0  0  0
  2 26  1  0  0  0  0
  8 27  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0353661

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]12C[C@@H](C)[C@]3([H])[C@H](C[C@@H](OC(=O)C(C)=C)[C@@]3(C)C[C@]1([H])C(=C)C(=O)O2)OC(=O)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C23H32O6/c1-11(2)20(24)28-17-9-18(29-21(25)12(3)4)23(7)10-15-14(6)22(26)27-16(15)8-13(5)19(17)23/h11,13,15-19H,3,6,8-10H2,1-2,4-5,7H3/t13-,15-,16+,17+,18-,19-,23-/m1/s1

> <INCHI_KEY>
FSCKBJQQDBKYIG-XRSBSRBISA-N

> <FORMULA>
C23H32O6

> <MOLECULAR_WEIGHT>
404.503

> <EXACT_MASS>
404.21988875

$$$$

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       2.447   0.581   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0       3.052  -0.836   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.013   0.368   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.553   0.368   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.221   1.756   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.513  -0.836   0.000  0.00  0.00           C+0
HETATM    7  H   UNK     0       5.011  -1.178   0.000  0.00  0.00           H+0
HETATM    8  C   UNK     0       8.047  -0.698   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.652  -2.114   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.492  -3.127   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       7.630  -4.661   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       6.371  -5.547   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       4.974  -4.900   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       6.509  -7.081   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.906  -7.728   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.250  -7.967   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.170  -2.337   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.101  -3.875   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.783  -3.005   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.395  -2.337   0.000  0.00  0.00           C+0
HETATM   21  H   UNK     0       4.599  -1.377   0.000  0.00  0.00           H+0
HETATM   22  C   UNK     0       2.073  -3.127   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.935  -4.661   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.913  -2.114   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -0.588  -2.456   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       1.519  -0.698   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       8.836   0.625   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      10.376   0.601   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      11.126  -0.744   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      11.166   1.923   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.416   3.269   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      12.706   1.900   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   20   26                                             
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8   17                                             
CONECT    7    6                                                            
CONECT    8    6    9   27                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   17                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   10    6   18   19                                             
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19    2   21   22                                             
CONECT   21   20                                                            
CONECT   22   20   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24    2                                                       
CONECT   27    8   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   68    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₃H₃₂O₆

Average Mass

404.5030 Da

Monoisotopic Mass

404.21989 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@]12C[C@@H](C)[C@]3([H])[C@H](C[C@@H](OC(=O)C(C)=C)[C@@]3(C)C[C@]1([H])C(=C)C(=O)O2)OC(=O)C(C)C

InChI Identifier

InChI=1S/C23H32O6/c1-11(2)20(24)28-17-9-18(29-21(25)12(3)4)23(7)10-15-14(6)22(26)27-16(15)8-13(5)19(17)23/h11,13,15-19H,3,6,8-10H2,1-2,4-5,7H3/t13-,15-,16+,17+,18-,19-,23-/m1/s1

InChI Key

FSCKBJQQDBKYIG-XRSBSRBISA-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	2026-02-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150.0, Chloroform-d, simulated)	[email protected]	Not Available	Not Available	2026-02-24	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Centipeda minima		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 Centiplide F (NP0353661)

MOL for NP0353661 (Centiplide F)

3D MOL for NP0353661 (Centiplide F)

3D SDF for NP0353661 (Centiplide F)

3D-SDF for NP0353661 (Centiplide F)

PDB for NP0353661 (Centiplide F)

3D PDB for NP0353661 (Centiplide F)

SMILES for NP0353661 (Centiplide F)

INCHI for NP0353661 (Centiplide F)

Structure for NP0353661 (Centiplide F)

3D Structure for NP0353661 (Centiplide F)