NP-MRD: Showing NP-Card for hyperjaponiones G (NP0353880)

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Record Information

Version

2.0

Created at

2026-03-26 09:28:31 UTC

Updated at

2026-04-19 03:36:09 UTC

NP-MRD ID

NP0353880

Natural Product DOI

https://doi.org/10.57994/8444

Secondary Accession Numbers

None

Natural Product Identification

Common Name

hyperjaponiones G

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 04242306382D          

 27 30  0  0  1  0            999 V2000
    3.9880    0.1781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7284    0.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4137    0.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3586   -0.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7834    1.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5239    1.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2092    1.2698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5789    2.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3800    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9122    3.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8936    3.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1532    2.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3577    1.4606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6724    1.9198    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5315    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7149    0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3510    1.7301    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5766    1.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4358    0.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0569    1.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9428    2.3049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1490    2.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7274    2.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4678    3.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    3.8346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  6  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 19  1  0  0  0  0
 23 16  1  0  0  0  0
 23 24  1  1  0  0  0
 19 24  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  1  0  0  0  0
 13 26  1  0  0  0  0
 12 27  2  0  0  0  0
M  END


  Mrv2104 04242306382D          

 27 30  0  0  1  0            999 V2000
    3.9880    0.1781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7284    0.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4137    0.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3586   -0.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7834    1.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5239    1.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2092    1.2698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5789    2.5522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3800    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9122    3.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8936    3.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1532    2.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3577    1.4606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6724    1.9198    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5315    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7149    0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3510    1.7301    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5766    1.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4358    0.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0569    1.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9428    2.3049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1490    2.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7274    2.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4678    3.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    3.8346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  6  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 19  1  0  0  0  0
 23 16  1  0  0  0  0
 23 24  1  1  0  0  0
 19 24  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  1  0  0  0  0
 13 26  1  0  0  0  0
 12 27  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0353880

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C(=O)C1=C(O)C(C)(C)C(=O)C2=C1O[C@@]1(CC[C@]3(C[C@@H]13)C(C)C)CC2

> <INCHI_IDENTIFIER>
InChI=1S/C23H32O4/c1-12(2)17(24)16-18-14(19(25)21(5,6)20(16)26)7-8-23(27-18)10-9-22(13(3)4)11-15(22)23/h12-13,15,26H,7-11H2,1-6H3/t15-,22+,23-/m1/s1

> <INCHI_KEY>
DNCPRKNATKUKSD-AIYSXCBHSA-N

> <FORMULA>
C23H32O4

> <MOLECULAR_WEIGHT>
372.505

> <EXACT_MASS>
372.23005951

$$$$

HEADER    PROTEIN                                 24-APR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-23         0                                  
HETATM    1  O   UNK     0       7.444   0.332   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       8.826   1.012   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.106   0.154   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.003  -1.382   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.488   0.834   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.929   2.548   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.311   3.228   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      11.591   2.370   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      10.414   4.764   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.909   4.396   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      11.036   6.173   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.135   5.621   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.753   4.942   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.650   3.406   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       6.268   2.726   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       4.988   3.584   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.726   2.066   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.201   1.847   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.522   3.229   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.076   2.698   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.814   1.181   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.106   3.685   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.626   4.303   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.145   4.723   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.091   5.120   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.473   5.800   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       9.238   7.158   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    6                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    2    7   14                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11   12                                             
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    9   13   27                                                  
CONECT   13   12   14   26                                                  
CONECT   14   13    6   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   23   25                                             
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   23   24                                             
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   19   16   24                                                  
CONECT   24   23   19                                                       
CONECT   25   16   26                                                       
CONECT   26   25   13                                                       
CONECT   27   12                                                            
MASTER        0    0    0    0    0    0    0    0   27    0   60    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₃H₃₂O₄

Average Mass

372.5050 Da

Monoisotopic Mass

372.23006 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C)C(=O)C1=C(O)C(C)(C)C(=O)C2=C1O[C@@]1(CC[C@]3(C[C@@H]13)C(C)C)CC2

InChI Identifier

InChI=1S/C23H32O4/c1-12(2)17(24)16-18-14(19(25)21(5,6)20(16)26)7-8-23(27-18)10-9-22(13(3)4)11-15(22)23/h12-13,15,26H,7-11H2,1-6H3/t15-,22+,23-/m1/s1

InChI Key

DNCPRKNATKUKSD-AIYSXCBHSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	[email protected]	厦门大学	钟胜飞	2026-03-26	View Spectrum
1D_DEPT NMR	¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)	[email protected]	厦门大学	钟胜飞	2026-03-26	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	[email protected]	厦门大学	钟胜飞	2026-03-26	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	[email protected]	厦门大学	钟胜飞	2026-03-26	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	[email protected]	厦门大学	钟胜飞	2026-03-26	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)	[email protected]	厦门大学	钟胜飞	2026-03-26	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	[email protected]	厦门大学	钟胜飞	2026-03-26	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	[email protected]	厦门大学	钟胜飞	2026-03-26	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Hypericum Hypericum japonicum Thunb.		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 hyperjaponiones G (NP0353880)

MOL for NP0353880 (hyperjaponiones G)

3D MOL for NP0353880 (hyperjaponiones G)

3D SDF for NP0353880 (hyperjaponiones G)

3D-SDF for NP0353880 (hyperjaponiones G)

PDB for NP0353880 (hyperjaponiones G)

3D PDB for NP0353880 (hyperjaponiones G)

SMILES for NP0353880 (hyperjaponiones G)

INCHI for NP0353880 (hyperjaponiones G)

Structure for NP0353880 (hyperjaponiones G)

3D Structure for NP0353880 (hyperjaponiones G)