NP-MRD: Showing NP-Card for Hancinone (NP0072123)

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Record Information

Version

2.0

Created at

2022-04-28 17:30:22 UTC

Updated at

2022-04-28 17:30:22 UTC

NP-MRD ID

NP0072123

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Hancinone

Description

Hancinone belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. Hancinone is found in Magnolia denudata , Piper hancei and Piper wightii. Hancinone was first documented in 2010 (PMID: 20394289). Based on a literature review a small amount of articles have been published on Hancinone (PMID: 33755467) (PMID: 31819371).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 48  0  0  0  0  0  0  0  0999 V2000
    5.9051    1.5973   -0.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4361    0.7750    0.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6822   -0.4220   -0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2851   -0.4114    0.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2272   -0.4409   -0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8608   -0.4412    0.1384 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3208   -1.7062   -0.2192 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4162   -1.9502   -1.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6991   -0.3002    1.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7117   -0.2539    2.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0971   -0.3113    1.9691 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0450   -0.2774    2.7606 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7318   -0.2434    1.7334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1646    0.6571    0.6916 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5015    0.3650    0.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3342    1.4645   -0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5979    1.3127   -0.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0852    0.0607   -0.7821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2781   -1.0318   -0.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9817   -0.8800   -0.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0334   -2.1336   -0.8958 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3772   -1.7469   -1.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3132   -0.3536   -1.2597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0581    0.6457   -0.3018 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6339    1.9873   -0.4311 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250    1.3753   -1.6124 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4576    2.4734   -0.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6241    1.0098    1.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1581   -1.3695    0.2813 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6128   -0.4678   -1.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5246   -0.4511   -1.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0578   -2.9711   -1.7436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1422   -1.2849   -2.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4647   -1.9774   -1.9543 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4908   -0.1690    3.5035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1320    1.6940    1.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9493    2.4753    0.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2009    2.1991   -0.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3682   -1.7556    0.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0073   -1.9551   -0.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7900   -2.2365   -1.9976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4741    0.4281   -1.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1872    2.7539   -0.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966    2.2218    0.4013 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0916    2.0461   -1.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0
  6  7  1  6
  6  5  1  0
  5  4  2  0
  4  3  1  0
  3  2  1  0
  2  1  2  3
  4 11  1  0
 11 12  2  0
 11 10  1  0
 10  9  2  0
  9 13  1  0
 13 14  1  0
 14 24  1  0
 24 25  1  0
 14 15  1  0
 15 20  2  0
 20 19  1  0
 19 18  2  0
 18 23  1  0
 23 22  1  0
 22 21  1  0
 18 17  1  0
 17 16  2  0
  9  6  1  0
 16 15  1  0
 24  6  1  0
 21 19  1  0
  8 32  1  0
  8 33  1  0
  8 34  1  0
  5 31  1  0
  3 29  1  0
  3 30  1  0
  2 28  1  0
  1 26  1  0
  1 27  1  0
 10 35  1  0
 14 36  1  1
 24 42  1  6
 25 43  1  0
 25 44  1  0
 25 45  1  0
 20 39  1  0
 22 40  1  0
 22 41  1  0
 17 38  1  0
 16 37  1  0
M  END


  Mrv1652304282219302D          

 25 28  0  0  1  0            999 V2000
    5.3277   -0.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1527   -0.2941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9152   -1.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0902   -1.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6777   -0.2941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0902    0.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9152    0.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5382    1.0335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.6979    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8708   -0.1225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2577   -0.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1928   -0.9615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5284   -1.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3277   -1.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9152   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3277   -3.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  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
  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  6  0  0  0
  9 12  1  1  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 20  1  0  0  0  0
  5 21  1  1  0  0  0
 21 22  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0072123

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@]12C=C(CC=C)C(=O)C=C1O[C@@H]([C@H]2C)C1=CC2=C(OCO2)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C20H20O5/c1-4-5-14-10-20(22-3)12(2)19(25-18(20)9-15(14)21)13-6-7-16-17(8-13)24-11-23-16/h4,6-10,12,19H,1,5,11H2,2-3H3/t12-,19+,20+/m1/s1

> <INCHI_KEY>
GGRIWHJBFXFKGS-CFGAKRJMSA-N

> <FORMULA>
C20H20O5

> <MOLECULAR_WEIGHT>
340.375

> <EXACT_MASS>
340.131073744

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
36.07541411693404

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S,3R,3aS)-2-(2H-1,3-benzodioxol-5-yl)-3a-methoxy-3-methyl-5-(prop-2-en-1-yl)-2,3,3a,6-tetrahydro-1-benzofuran-6-one

> <ALOGPS_LOGP>
3.21

> <JCHEM_LOGP>
3.1737451876666665

> <ALOGPS_LOGS>
-4.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.041907487533607

> <JCHEM_POLAR_SURFACE_AREA>
53.99000000000001

> <JCHEM_REFRACTIVITY>
94.0455

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.26e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,3aS)-2-(2H-1,3-benzodioxol-5-yl)-3a-methoxy-3-methyl-5-(prop-2-en-1-yl)-2,3-dihydro-1-benzofuran-6-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0       9.945  -0.549   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      11.485  -0.549   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       9.175  -1.883   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.635  -1.883   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.865  -0.549   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.635   0.785   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.175   0.785   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       6.605   1.929   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       5.198   1.303   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.359  -0.229   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.214  -1.259   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.864   2.073   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.530   1.303   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.197   2.073   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.197   3.613   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.530   4.383   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.864   3.613   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -0.268   4.089   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -1.173   2.843   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -0.268   1.597   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       5.960  -1.795   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       6.586  -3.202   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.945  -3.216   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.175  -4.550   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       9.945  -5.884   0.000  0.00  0.00           C+0
CONECT    1    2    3    7                                                  
CONECT    2    1                                                            
CONECT    3    1    4   23                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   10   21                                             
CONECT    6    5    7    8                                                  
CONECT    7    6    1                                                       
CONECT    8    6    9                                                       
CONECT    9    8   10   12                                                  
CONECT   10    9    5   11                                                  
CONECT   11   10                                                            
CONECT   12    9   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   20                                                  
CONECT   15   14   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16   12                                                       
CONECT   18   15   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   14                                                       
CONECT   21    5   22                                                       
CONECT   22   21                                                            
CONECT   23    3   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   56    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₀O₅

Average Mass

340.3750 Da

Monoisotopic Mass

340.13107 Da

IUPAC Name

(2S,3R,3aS)-2-(2H-1,3-benzodioxol-5-yl)-3a-methoxy-3-methyl-5-(prop-2-en-1-yl)-2,3,3a,6-tetrahydro-1-benzofuran-6-one

Traditional Name

(2S,3R,3aS)-2-(2H-1,3-benzodioxol-5-yl)-3a-methoxy-3-methyl-5-(prop-2-en-1-yl)-2,3-dihydro-1-benzofuran-6-one

CAS Registry Number

Not Available

SMILES

CO[C@]12C=C(CC=C)C(=O)C=C1O[C@@H]([C@H]2C)C1=CC2=C(OCO2)C=C1

InChI Identifier

InChI=1S/C20H20O5/c1-4-5-14-10-20(22-3)12(2)19(25-18(20)9-15(14)21)13-6-7-16-17(8-13)24-11-23-16/h4,6-10,12,19H,1,5,11H2,2-3H3/t12-,19+,20+/m1/s1

InChI Key

GGRIWHJBFXFKGS-CFGAKRJMSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Magnolia denudata	Plant	KNApSAcK
Piper hancei	LOTUS Database	35616633
Piper wightii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

2-arylbenzofuran flavonoids

Sub Class

Not Available

Direct Parent

2-arylbenzofuran flavonoids

Alternative Parents

Substituents

2-arylbenzofuran flavonoid
Benzodioxole
Benzofuran
Benzenoid
Oxolane
Vinylogous ester
Ketone
Cyclic ketone
Acetal
Dialkyl ether
Ether
Oxacycle
Organoheterocyclic compound
Aldehyde
Carbonyl group
Hydrocarbon derivative
Organooxygen compound
Organic oxygen compound
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

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
logP	3.21	ALOGPS
logP	3.17	ChemAxon
logS	-4.4	ALOGPS
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	53.99 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	94.05 m³·mol⁻¹	ChemAxon
Polarizability	36.08 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00031846

Chemspider ID

108341307

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101370414

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Yang F, Su BJ, Hu YJ, Liu JL, Li H, Wang YQ, Liao HB, Liang D: Piperhancins A and B, Two Pairs of Antineuroinflammatory Cycloneolignane Enantiomers from Piper hancei. J Org Chem. 2021 Apr 2;86(7):5284-5291. doi: 10.1021/acs.joc.1c00240. Epub 2021 Mar 23. [PubMed:33755467 ]
He D, Huang JH, Zhang ZY, Du Q, Peng WJ, Yu R, Zhang SF, Zhang SH, Qin YH: A Network Pharmacology-Based Strategy For Predicting Active Ingredients And Potential Targets Of LiuWei DiHuang Pill In Treating Type 2 Diabetes Mellitus. Drug Des Devel Ther. 2019 Nov 28;13:3989-4005. doi: 10.2147/DDDT.S216644. eCollection 2019. [PubMed:31819371 ]
Duan S, Zhang P, Yu P: [Neolignans and lignan from Piper wallichii]. Zhongguo Zhong Yao Za Zhi. 2010 Jan;35(2):180-2. doi: 10.4268/cjcmm20100213. [PubMed:20394289 ]

Showing NP-Card for Hancinone (NP0072123)

MOL for NP0072123 (Hancinone)

3D MOL for NP0072123 (Hancinone)

3D SDF for NP0072123 (Hancinone)

3D-SDF for NP0072123 (Hancinone)

PDB for NP0072123 (Hancinone)

3D PDB for NP0072123 (Hancinone)

SMILES for NP0072123 (Hancinone)

INCHI for NP0072123 (Hancinone)

Structure for NP0072123 (Hancinone)

3D Structure for NP0072123 (Hancinone)