NP-MRD: Showing NP-Card for 5-Prenylbutein (NP0074525)

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Record Information

Version

2.0

Created at

2022-04-28 19:48:30 UTC

Updated at

2022-04-28 19:48:30 UTC

NP-MRD ID

NP0074525

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-Prenylbutein

Description

5-Prenylbutein belongs to the class of organic compounds known as 2'-hydroxychalcones. These are organic compounds containing chalcone skeleton that carries a hydroxyl group at the 2'-position. 5-Prenylbutein is found in Erythrina abyssinica and Glycyrrhiza inflata. 5-Prenylbutein was first documented in 2004 (PMID: 15504437). Based on a literature review a small amount of articles have been published on 5-Prenylbutein (PMID: 34770920).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 46  0  0  0  0  0  0  0  0999 V2000
   -5.7728   -2.8029   -0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1095   -1.5981   -0.7319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8237   -1.5545   -2.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7883   -0.6010    0.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1304    0.6126   -0.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8141    0.8180    0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690    0.5215   -0.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4010    0.6875    0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.3716   -0.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0298    0.4937   -0.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1954    0.1568   -1.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9267   -0.2586   -2.1744 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5512    0.2861   -0.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7927    0.7380    0.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0935    0.8671    1.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1891    0.5473    0.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4969    0.6735    1.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9582    0.0971   -0.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6525   -0.0344   -1.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5622   -0.4892   -2.5317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3630    1.1643    1.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5214    1.4702    2.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4410    1.9514    3.3790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7577    1.3007    1.5232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9644    1.5672    2.1363 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9953   -2.6228    0.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6885   -3.0405   -0.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0209   -3.6324   -0.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3121   -2.3989   -2.7225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7382   -1.5499   -2.4124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3285   -0.6316   -2.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0128   -0.6752    1.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708    0.5950   -1.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8094    1.4987   -0.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6902    0.1419   -1.4956 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6582   -0.0006   -1.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1323    0.8547    0.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9586    1.0027    1.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2625    1.2223    2.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8540   -0.1726    1.4844 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8255   -0.1590   -1.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8648   -0.6896   -3.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5672    1.3330    1.8898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2267    2.1848    3.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0217    1.9151    3.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6 24  2  0
 24 25  1  0
 24 22  1  0
 22 23  1  0
 22 21  2  0
 21  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 19  2  0
 19 20  1  0
 19 18  1  0
 18 16  2  0
 16 17  1  0
 16 15  1  0
 15 14  2  0
  8  7  2  0
  7  6  1  0
 14 13  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  3 29  1  0
  3 30  1  0
  3 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
 25 45  1  0
 23 44  1  0
 21 43  1  0
  9 36  1  0
 10 37  1  0
 20 42  1  0
 18 41  1  0
 17 40  1  0
 15 39  1  0
 14 38  1  0
  7 35  1  0
M  END


  Mrv1652304282221482D          

 25 26  0  0  0  0            999 V2000
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 O   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
  2  4  1  0  0  0  0
  4  5  2  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
 10 11  2  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  1 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
  1 23  1  0  0  0  0
 21 24  1  0  0  0  0
 19 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0074525

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCC1=C(O)C(O)=CC(\C=C\C(=O)C2=C(O)C=C(O)C=C2)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C20H20O5/c1-12(2)3-5-14-9-13(10-19(24)20(14)25)4-8-17(22)16-7-6-15(21)11-18(16)23/h3-4,6-11,21,23-25H,5H2,1-2H3/b8-4+

> <INCHI_KEY>
XHTOWVVXFDSBGH-XBXARRHUSA-N

> <FORMULA>
C20H20O5

> <MOLECULAR_WEIGHT>
340.375

> <EXACT_MASS>
340.131073744

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
36.94279963014557

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E)-3-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one

> <ALOGPS_LOGP>
3.47

> <JCHEM_LOGP>
5.054631021666667

> <ALOGPS_LOGS>
-4.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.503093743117121

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.108177229001954

> <JCHEM_PKA_STRONGEST_BASIC>
-6.312389691635237

> <JCHEM_POLAR_SURFACE_AREA>
97.99000000000001

> <JCHEM_REFRACTIVITY>
99.0434

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.44e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-3-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-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       1.334   6.930   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -1.334   6.930   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.334   8.470   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.667   9.240   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.001   8.470   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       5.335   9.240   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       0.000   9.240   0.000  0.00  0.00           O+0
CONECT    1    2   19   23                                                  
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   11                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   14                                                  
CONECT    9    8   10   13                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10    6                                                       
CONECT   12   10                                                            
CONECT   13    9                                                            
CONECT   14    8   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19    1   20   25                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   24                                                  
CONECT   22   21   23                                                       
CONECT   23   22    1                                                       
CONECT   24   21                                                            
CONECT   25   19                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   52    0
END

View in JSmol

Synonyms

Value	Source
2',3,4,4'-Tetrahydroxy-5-prenylchalcone	MeSH

Chemical Formula

C₂₀H₂₀O₅

Average Mass

340.3750 Da

Monoisotopic Mass

340.13107 Da

IUPAC Name

(2E)-3-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one

Traditional Name

(2E)-3-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one

CAS Registry Number

Not Available

SMILES

CC(C)=CCC1=C(O)C(O)=CC(\C=C\C(=O)C2=C(O)C=C(O)C=C2)=C1

InChI Identifier

InChI=1S/C20H20O5/c1-12(2)3-5-14-9-13(10-19(24)20(14)25)4-8-17(22)16-7-6-15(21)11-18(16)23/h3-4,6-11,21,23-25H,5H2,1-2H3/b8-4+

InChI Key

XHTOWVVXFDSBGH-XBXARRHUSA-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
Erythrina abyssinica	Plant	KNApSAcK
Glycyrrhiza inflata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2'-hydroxychalcones. These are organic compounds containing chalcone skeleton that carries a hydroxyl group at the 2'-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Linear 1,3-diarylpropanoids

Sub Class

Chalcones and dihydrochalcones

Direct Parent

2'-Hydroxychalcones

Alternative Parents

Substituents

2'-hydroxychalcone
Cinnamylphenol
Cinnamic acid or derivatives
Hydroxycinnamic acid or derivatives
Benzoyl
Catechol
Aryl ketone
Styrene
Resorcinol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Acryloyl-group
Vinylogous acid
Enone
Alpha,beta-unsaturated ketone
Ketone
Hydrocarbon derivative
Organic oxygen compound
Organic oxide
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	3.47	ALOGPS
logP	5.05	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	7.11	ChemAxon
pKa (Strongest Basic)	-6.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	97.99 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	99.04 m³·mol⁻¹	ChemAxon
Polarizability	36.94 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	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

C00035796

Chemspider ID

9442816

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11267805

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Okoye I, Yu S, Caruso F, Rossi M: X-ray Structure Determination, Antioxidant Voltammetry Studies of Butein and 2',4'-Dihydroxy-3,4-dimethoxychalcone. Computational Studies of 4 Structurally Related 2',4'-diOH Chalcones to Examine Their Antimalarial Activity by Binding to Falcipain-2. Molecules. 2021 Oct 28;26(21). pii: molecules26216511. doi: 10.3390/molecules26216511. [PubMed:34770920 ]
Yenesew A, Induli M, Derese S, Midiwo JO, Heydenreich M, Peter MG, Akala H, Wangui J, Liyala P, Waters NC: Anti-plasmodial flavonoids from the stem bark of Erythrina abyssinica. Phytochemistry. 2004 Nov;65(22):3029-32. doi: 10.1016/j.phytochem.2004.08.050. [PubMed:15504437 ]

Showing NP-Card for 5-Prenylbutein (NP0074525)

MOL for NP0074525 (5-Prenylbutein)

3D MOL for NP0074525 (5-Prenylbutein)

3D SDF for NP0074525 (5-Prenylbutein)

3D-SDF for NP0074525 (5-Prenylbutein)

PDB for NP0074525 (5-Prenylbutein)

3D PDB for NP0074525 (5-Prenylbutein)

SMILES for NP0074525 (5-Prenylbutein)

INCHI for NP0074525 (5-Prenylbutein)

Structure for NP0074525 (5-Prenylbutein)

3D Structure for NP0074525 (5-Prenylbutein)