NP-MRD: Showing NP-Card for Chrysaindilide A (NP0353389)

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Record Information

Version

2.0

Created at

2026-02-21 01:58:59 UTC

Updated at

2026-02-21 04:01:23 UTC

NP-MRD ID

NP0353389

Natural Product DOI

https://doi.org/10.57994/7864

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Chrysaindilide A

Description

Chrysaindilide A was first documented in 2021 (PMID: 33667099).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03212323112D          

 29 31  0  0  1  0            999 V2000
    5.0884    4.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9654    4.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1974    5.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5524    4.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6754    3.7963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0304    3.2819    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2140    2.4776    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9864    2.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9493    1.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1541    1.1441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6996    1.8326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3086    1.1061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5944    0.8492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6749    2.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4097    2.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2871    3.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5438    3.2819    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8988    3.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3602    2.4776    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7389    3.0204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8746    1.8326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4201    1.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7100    0.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6248    1.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5878    2.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1007    2.6422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2325    2.5759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    4.9135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0745    5.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  1  0  0  0
  9 13  2  0  0  0  0
  8 14  2  0  0  0  0
  7 15  1  6  0  0  0
  6 16  1  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  1  0  0  0
 19 17  1  0  0  0  0
 19 20  1  6  0  0  0
 21 19  1  0  0  0  0
 11 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 19 25  1  0  0  0  0
 25 26  2  0  0  0  0
 21 27  1  6  0  0  0
  4 28  2  0  0  0  0
  3 29  1  0  0  0  0
M  END


  Mrv2104 03212323112D          

 29 31  0  0  1  0            999 V2000
    5.0884    4.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9654    4.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1974    5.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5524    4.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6754    3.7963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0304    3.2819    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2140    2.4776    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9864    2.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9493    1.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1541    1.1441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6996    1.8326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3086    1.1061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5944    0.8492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6749    2.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4097    2.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2871    3.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5438    3.2819    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8988    3.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3602    2.4776    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7389    3.0204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8746    1.8326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4201    1.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7100    0.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6248    1.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5878    2.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1007    2.6422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2325    2.5759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    4.9135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0745    5.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  1  0  0  0
  9 13  2  0  0  0  0
  8 14  2  0  0  0  0
  7 15  1  6  0  0  0
  6 16  1  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  1  0  0  0
 19 17  1  0  0  0  0
 19 20  1  6  0  0  0
 21 19  1  0  0  0  0
 11 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 19 25  1  0  0  0  0
 25 26  2  0  0  0  0
 21 27  1  6  0  0  0
  4 28  2  0  0  0  0
  3 29  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0353389

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C20H24O5/c1-6-9(2)19(22)24-14-8-11(4)15-13(21)7-10(3)16(15)18-17(14)12(5)20(23)25-18/h6-7,11,14-18H,5,8H2,1-4H3/b9-6-/t11-,14-,15+,16-,17+,18+/m0/s1

> <INCHI_KEY>
WBQMWWQGDSBYBA-PEFDIVCDSA-N

> <FORMULA>
C20H24O5

> <MOLECULAR_WEIGHT>
344.407

> <EXACT_MASS>
344.162373873

$$$$

HEADER    PROTEIN                                 21-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   21-MAR-23         0                                  
HETATM    1  C   UNK     0       9.498   7.484   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.269   9.007   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.835   9.569   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.631   8.609   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       6.861   7.086   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       5.657   6.126   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.999   4.625   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.441   4.084   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.372   2.545   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       5.888   2.136   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       5.039   3.421   0.000  0.00  0.00           C+0
HETATM   12  H   UNK     0       4.309   2.065   0.000  0.00  0.00           H+0
HETATM   13  O   UNK     0       8.576   1.585   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       8.726   4.932   0.000  0.00  0.00           C+0
HETATM   15  H   UNK     0       4.498   4.968   0.000  0.00  0.00           H+0
HETATM   16  C   UNK     0       4.269   6.794   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.882   6.126   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.678   7.086   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.539   4.625   0.000  0.00  0.00           C+0
HETATM   20  H   UNK     0       1.379   5.638   0.000  0.00  0.00           H+0
HETATM   21  C   UNK     0       3.499   3.421   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.651   2.136   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.192   0.694   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.166   2.545   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.097   4.084   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -0.188   4.932   0.000  0.00  0.00           O+0
HETATM   27  H   UNK     0       4.167   4.808   0.000  0.00  0.00           H+0
HETATM   28  O   UNK     0       5.198   9.172   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       7.606  11.092   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   29                                                  
CONECT    4    3    5   28                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   16                                                  
CONECT    7    6    8   11   15                                             
CONECT    8    7    9   14                                                  
CONECT    9    8   10   13                                                  
CONECT   10    9   11                                                       
CONECT   11   10    7   12   21                                             
CONECT   12   11                                                            
CONECT   13    9                                                            
CONECT   14    8                                                            
CONECT   15    7                                                            
CONECT   16    6   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21   25                                             
CONECT   20   19                                                            
CONECT   21   19   11   22   27                                             
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   19   26                                                  
CONECT   26   25                                                            
CONECT   27   21                                                            
CONECT   28    4                                                            
CONECT   29    3                                                            
MASTER        0    0    0    0    0    0    0    0   29    0   62    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₄O₅

Average Mass

344.4070 Da

Monoisotopic Mass

344.16237 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C20H24O5/c1-6-9(2)19(22)24-14-8-11(4)15-13(21)7-10(3)16(15)18-17(14)12(5)20(23)25-18/h6-7,11,14-18H,5,8H2,1-4H3/b9-6-/t11-,14-,15+,16-,17+,18+/m0/s1

InChI Key

WBQMWWQGDSBYBA-PEFDIVCDSA-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, 400.0, Chloroform-d, simulated)	[email protected]	Not Available	Not Available	2026-02-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100.0, Chloroform-d, simulated)	[email protected]	Not Available	Not Available	2026-02-21	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Chrysanthemum indicum		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 Chrysaindilide A (NP0353389)

MOL for NP0353389 (Chrysaindilide A)

3D MOL for NP0353389 (Chrysaindilide A)

3D SDF for NP0353389 (Chrysaindilide A)

3D-SDF for NP0353389 (Chrysaindilide A)

PDB for NP0353389 (Chrysaindilide A)

3D PDB for NP0353389 (Chrysaindilide A)

SMILES for NP0353389 (Chrysaindilide A)

INCHI for NP0353389 (Chrysaindilide A)

Structure for NP0353389 (Chrysaindilide A)

3D Structure for NP0353389 (Chrysaindilide A)