NP-MRD: Showing NP-Card for (8S)-10-Cinnamoyloxy-8,9-epoxy-6-hydroxy-7-northymol isobutyrate (NP0353406)

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Record Information

Version

2.0

Created at

2026-02-21 04:58:02 UTC

Updated at

2026-02-21 08:01:55 UTC

NP-MRD ID

NP0353406

Natural Product DOI

https://doi.org/10.57994/7889

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(8S)-10-Cinnamoyloxy-8,9-epoxy-6-hydroxy-7-northymol isobutyrate

Description

(8S)-10-Cinnamoyloxy-8,9-epoxy-6-hydroxy-7-northymol isobutyrate was first documented in 2021 (PMID: 33683122).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03222302102D          

 28 30  0  0  1  0            999 V2000
    0.0612   -5.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8365   -5.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4685   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9797   -4.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7550   -4.0501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8982   -3.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2663   -2.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4095   -1.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1848   -1.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3280   -0.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -2.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6735   -2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3055   -3.4858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7180   -4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8930   -4.2002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7127   -3.2376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3447   -2.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1199   -2.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7519   -2.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5272   -2.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1592   -2.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9344   -2.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0777   -3.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4457   -3.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6704   -3.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2014   -1.8949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3477   -3.8020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
  6 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 21 26  1  0  0  0  0
 18 27  2  0  0  0  0
  4 28  2  0  0  0  0
M  END


  Mrv2104 03222302102D          

 28 30  0  0  1  0            999 V2000
    0.0612   -5.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8365   -5.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4685   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9797   -4.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7550   -4.0501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8982   -3.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2663   -2.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4095   -1.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1848   -1.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3280   -0.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -2.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6735   -2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3055   -3.4858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7180   -4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8930   -4.2002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7127   -3.2376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3447   -2.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1199   -2.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7519   -2.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5272   -2.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1592   -2.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9344   -2.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0777   -3.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4457   -3.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6704   -3.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2014   -1.8949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3477   -3.8020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
  6 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 21 26  1  0  0  0  0
 18 27  2  0  0  0  0
  4 28  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0353406

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C(=O)OC1=CC=C(O)C=C1[C@@]1(COC(=O)\C=C\C2=CC=CC=C2)CO1

> <INCHI_IDENTIFIER>
InChI=1S/C22H22O6/c1-15(2)21(25)28-19-10-9-17(23)12-18(19)22(14-27-22)13-26-20(24)11-8-16-6-4-3-5-7-16/h3-12,15,23H,13-14H2,1-2H3/b11-8+/t22-/m1/s1

> <INCHI_KEY>
PTEYDASRCZTECD-YVWYTEFXSA-N

> <FORMULA>
C22H22O6

> <MOLECULAR_WEIGHT>
382.412

> <EXACT_MASS>
382.141638428

$$$$

HEADER    PROTEIN                                 22-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-MAR-23         0                                  
HETATM    1  C   UNK     0       0.114 -10.130   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.561  -9.604   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.741 -10.593   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.829  -8.087   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       3.276  -7.560   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       3.543  -6.044   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.364  -5.054   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.631  -3.537   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.078  -3.010   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       4.346  -1.494   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       5.258  -4.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.991  -5.517   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.170  -6.507   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.940  -7.840   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       5.400  -7.840   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       7.350  -5.517   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       8.797  -6.044   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       9.977  -5.054   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.424  -5.580   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      12.604  -4.591   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      14.051  -5.117   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      15.230  -4.127   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      16.678  -4.654   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      16.945  -6.171   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      15.765  -7.161   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      14.318  -6.634   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       9.709  -3.537   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       0.649  -7.097   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   28                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   12                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11    6   13                                                  
CONECT   13   12   14   15   16                                             
CONECT   14   13   15                                                       
CONECT   15   14   13                                                       
CONECT   16   13   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   27                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   26                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   21                                                       
CONECT   27   18                                                            
CONECT   28    4                                                            
MASTER        0    0    0    0    0    0    0    0   28    0   60    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₂H₂₂O₆

Average Mass

382.4120 Da

Monoisotopic Mass

382.14164 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C)C(=O)OC1=CC=C(O)C=C1[C@@]1(COC(=O)\C=C\C2=CC=CC=C2)CO1

InChI Identifier

InChI=1S/C22H22O6/c1-15(2)21(25)28-19-10-9-17(23)12-18(19)22(14-27-22)13-26-20(24)11-8-16-6-4-3-5-7-16/h3-12,15,23H,13-14H2,1-2H3/b11-8+/t22-/m1/s1

InChI Key

PTEYDASRCZTECD-YVWYTEFXSA-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, 300.0, Chloroform-d, simulated)	[email protected]	Not Available	Not Available	2026-02-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75.4, Chloroform-d, simulated)	[email protected]	Not Available	Not Available	2026-02-21	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Piptothrix areolare		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 (8S)-10-Cinnamoyloxy-8,9-epoxy-6-hydroxy-7-northymol isobutyrate (NP0353406)

MOL for NP0353406 ((8S)-10-Cinnamoyloxy-8,9-epoxy-6-hydroxy-7-northymol isobutyrate)

3D MOL for NP0353406 ((8S)-10-Cinnamoyloxy-8,9-epoxy-6-hydroxy-7-northymol isobutyrate)

3D SDF for NP0353406 ((8S)-10-Cinnamoyloxy-8,9-epoxy-6-hydroxy-7-northymol isobutyrate)

3D-SDF for NP0353406 ((8S)-10-Cinnamoyloxy-8,9-epoxy-6-hydroxy-7-northymol isobutyrate)

PDB for NP0353406 ((8S)-10-Cinnamoyloxy-8,9-epoxy-6-hydroxy-7-northymol isobutyrate)

3D PDB for NP0353406 ((8S)-10-Cinnamoyloxy-8,9-epoxy-6-hydroxy-7-northymol isobutyrate)

SMILES for NP0353406 ((8S)-10-Cinnamoyloxy-8,9-epoxy-6-hydroxy-7-northymol isobutyrate)

INCHI for NP0353406 ((8S)-10-Cinnamoyloxy-8,9-epoxy-6-hydroxy-7-northymol isobutyrate)

Structure for NP0353406 ((8S)-10-Cinnamoyloxy-8,9-epoxy-6-hydroxy-7-northymol isobutyrate)

3D Structure for NP0353406 ((8S)-10-Cinnamoyloxy-8,9-epoxy-6-hydroxy-7-northymol isobutyrate)