NP-MRD: Showing NP-Card for Alpinin F (NP0352456)

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Record Information

Version

2.0

Created at

2026-02-11 09:18:54 UTC

Updated at

2026-06-18 04:21:14 UTC

NP-MRD ID

NP0352456

Natural Product DOI

https://doi.org/10.57994/6341

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Alpinin F

Description

Alpinin F was first documented in 2026 (PMID: 42000082).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03122306322D          

 34 37  0  0  1  0            999 V2000
    1.2013    1.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0813    1.0257    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2875    0.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6155    1.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6102   -0.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3668    0.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3668   -0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0813   -0.6243    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7957   -0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7957    0.6132    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7827    1.4381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    1.0702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2247    0.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625    0.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0118    1.8058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7496    2.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6511    0.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6018   -0.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2904   -0.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411   -1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9297   -2.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8804   -2.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5690   -3.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5197   -4.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2082   -4.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1590   -5.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8475   -5.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7983   -6.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0604   -7.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3719   -6.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4211   -5.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3068   -2.9369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640   -0.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1754   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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  1  0  0  0  0
  8  7  1  1  0  0  0
  8  3  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  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  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 26 31  1  0  0  0  0
 23 32  2  0  0  0  0
 18 33  1  0  0  0  0
 33 34  2  0  0  0  0
 13 34  1  0  0  0  0
M  END


  Mrv2104 03122306322D          

 34 37  0  0  1  0            999 V2000
    1.2013    1.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0813    1.0257    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2875    0.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6155    1.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6102   -0.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3668    0.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3668   -0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0813   -0.6243    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7957   -0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7957    0.6132    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7827    1.4381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    1.0702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2247    0.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625    0.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0118    1.8058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7496    2.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6511    0.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6018   -0.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2904   -0.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411   -1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9297   -2.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8804   -2.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5690   -3.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5197   -4.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2082   -4.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1590   -5.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8475   -5.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7983   -6.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0604   -7.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3719   -6.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4211   -5.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3068   -2.9369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640   -0.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1754   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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  1  0  0  0  0
  8  7  1  1  0  0  0
  8  3  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  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  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 26 31  1  0  0  0  0
 23 32  2  0  0  0  0
 18 33  1  0  0  0  0
 33 34  2  0  0  0  0
 13 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0352456

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]1(C[C@H]2CC[C@@]1(C)C2(C)C)OC1=C(OC)C=C(CC\C=C\C(=O)CCC2=CC=CC=C2)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C30H38O3/c1-29(2)24-18-19-30(29,3)28(21-24)33-26-17-15-23(20-27(26)32-4)12-8-9-13-25(31)16-14-22-10-6-5-7-11-22/h5-7,9-11,13,15,17,20,24,28H,8,12,14,16,18-19,21H2,1-4H3/b13-9+/t24-,28-,30-/m1/s1

> <INCHI_KEY>
GNSJQYVCLGDGQN-NGEVBKGTSA-N

> <FORMULA>
C30H38O3

> <MOLECULAR_WEIGHT>
446.631

> <EXACT_MASS>
446.282095084

$$$$

HEADER    PROTEIN                                 12-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-MAR-23         0                                  
HETATM    1  C   UNK     0       2.242   3.527   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.018   1.915   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.403   0.375   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.149   1.928   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.139  -1.244   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.685   1.145   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.685  -0.395   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.018  -1.165   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.352  -0.395   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.352   1.145   0.000  0.00  0.00           C+0
HETATM   11  H   UNK     0       3.328   2.684   0.000  0.00  0.00           H+0
HETATM   12  O   UNK     0       4.727   1.998   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       6.019   1.145   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.397   1.834   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       7.489   3.371   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       8.866   4.060   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.682   0.985   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.590  -0.552   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.875  -1.400   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.783  -2.937   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.069  -3.786   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.977  -5.323   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      12.262  -6.171   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      12.170  -7.708   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      13.455  -8.557   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      13.363 -10.094   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      14.649 -10.942   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      14.557 -12.480   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      13.179 -13.168   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      11.894 -12.320   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      11.986 -10.783   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      13.639  -5.482   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       7.213  -1.241   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.927  -0.393   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    6   10                                             
CONECT    3    2    4    5    8                                             
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    2    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9    2   11   12                                             
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   34                                                  
CONECT   14   13   15   17                                                  
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17   14   18                                                       
CONECT   18   17   19   33                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   32                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   26                                                       
CONECT   32   23                                                            
CONECT   33   18   34                                                       
CONECT   34   33   13                                                       
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₃₈O₃

Average Mass

446.6310 Da

Monoisotopic Mass

446.28210 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@]1(C[C@H]2CC[C@@]1(C)C2(C)C)OC1=C(OC)C=C(CC\C=C\C(=O)CCC2=CC=CC=C2)C=C1

InChI Identifier

InChI=1S/C30H38O3/c1-29(2)24-18-19-30(29,3)28(21-24)33-26-17-15-23(20-27(26)32-4)12-8-9-13-25(31)16-14-22-10-6-5-7-11-22/h5-7,9-11,13,15,17,20,24,28H,8,12,14,16,18-19,21H2,1-4H3/b13-9+/t24-,28-,30-/m1/s1

InChI Key

GNSJQYVCLGDGQN-NGEVBKGTSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	[email protected]	Jinan University	Zhen-Long Wu	2026-02-11	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	[email protected]	Jinan University	Zhen-Long Wu	2026-02-11	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	[email protected]	Jinan University	Zhen-Long Wu	2026-02-11	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)	[email protected]	Jinan University	Zhen-Long Wu	2026-02-11	View Spectrum
1D_DEPT NMR	¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)	[email protected]	Jinan University	Zhen-Long Wu	2026-02-11	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)	[email protected]	Jinan University	Zhen-Long Wu	2026-02-11	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)	[email protected]	Jinan University	Zhen-Long Wu	2026-02-11	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Alpinia officinarum		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

DOI: 10.1016/j.fitote.2026.107250

Showing NP-Card for Alpinin F (NP0352456)

MOL for NP0352456 (Alpinin F)

3D MOL for NP0352456 (Alpinin F)

3D SDF for NP0352456 (Alpinin F)

3D-SDF for NP0352456 (Alpinin F)

PDB for NP0352456 (Alpinin F)

3D PDB for NP0352456 (Alpinin F)

SMILES for NP0352456 (Alpinin F)

INCHI for NP0352456 (Alpinin F)

Structure for NP0352456 (Alpinin F)

3D Structure for NP0352456 (Alpinin F)