NP-MRD: Showing NP-Card for Broussochalcone A (NP0054789)

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Record Information

Version

2.0

Created at

2022-04-28 01:01:49 UTC

Updated at

2022-04-28 01:01:49 UTC

NP-MRD ID

NP0054789

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Broussochalcone A

Description

Broussochalcone a belongs to the class of organic compounds known as 3-prenylated chalcones. These are chalcones featuring a C5-isoprenoid unit at the 3-position. Thus, broussochalcone a is considered to be a flavonoid. Broussochalcone A is found in Broussonetia papyrifera and Medicago sativa . Broussochalcone A was first documented in 2018 (PMID: 29655687). Based on a literature review a small amount of articles have been published on Broussochalcone a (PMID: 32762411) (PMID: 34745413) (PMID: 33923503) (PMID: 31163223).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 46  0  0  0  0  0  0  0  0999 V2000
   -6.8421   -0.2810    0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8931    0.3303    1.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4529    1.3956    2.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6405    0.0080    1.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8916   -0.9942    0.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6552   -0.4901   -0.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4345   -0.7642    0.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1951   -0.3117   -0.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0054   -0.6687    0.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7473   -1.4206    1.6391 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3879   -0.4825    0.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2218    0.1157   -0.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6966    0.1442   -0.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3537   -0.4774    0.8002 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7537   -0.4359    0.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5028    0.2437   -0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9003    0.2896    0.0820 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8264    0.8669   -1.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5635    1.5601   -1.9847 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4584    0.8278   -1.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3007    0.4482   -1.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8273    0.9547   -1.8825 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5194    0.7376   -1.8498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6623    0.2697   -1.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8536    0.6134   -1.9574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5420   -1.2967   -0.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9056    0.4088   -0.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8462   -0.3223    0.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1805    1.1636    3.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5596    1.4097    2.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0985    2.4039    1.7658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0248    0.5401    2.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5687   -1.3575   -0.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6976   -1.9186    1.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3678   -1.3698    1.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0266   -0.9949    1.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8399    0.6439   -1.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8322   -1.0326    1.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2256   -0.9500    1.7365 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3785   -0.1721    0.8324 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1259    2.0473   -2.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9228    1.3218   -1.9486 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7739    1.5066   -2.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5358    1.3433   -2.7521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7026    0.2711   -1.5725 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 23  1  0
 23 21  2  0
 21 22  1  0
 21  8  1  0
  8  7  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
  7  6  1  0
 20 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
 22 43  1  0
  7 35  1  0
 11 36  1  0
 12 37  1  0
 14 38  1  0
 15 39  1  0
 17 40  1  0
 19 41  1  0
 20 42  1  0
M  END


  Mrv1652304282203012D          

 25 26  0  0  0  0            999 V2000
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    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
    2.1434   -2.8875    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
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145  -10.3125    0.0000 C   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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  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
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 16 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0054789

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C20H20O5/c1-12(2)3-6-14-10-15(19(24)11-18(14)23)16(21)7-4-13-5-8-17(22)20(25)9-13/h3-5,7-11,22-25H,6H2,1-2H3/b7-4+

> <INCHI_KEY>
FEALTYYKRMRXTG-QPJJXVBHSA-N

> <FORMULA>
C20H20O5

> <MOLECULAR_WEIGHT>
340.375

> <EXACT_MASS>
340.131073744

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
36.39143401511834

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
3.46

> <JCHEM_LOGP>
5.054631021666667

> <ALOGPS_LOGS>
-4.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.448649391748852

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.05455998688305

> <JCHEM_PKA_STRONGEST_BASIC>
-6.304198199299006

> <JCHEM_POLAR_SURFACE_AREA>
97.99000000000001

> <JCHEM_REFRACTIVITY>
99.04339999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.49e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
broussochalcone A

> <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       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       5.335 -12.320   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667 -13.860   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334 -14.630   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000 -13.860   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000 -12.320   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       1.334 -10.010   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -1.334 -14.630   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       1.334 -16.170   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667 -16.940   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.667 -18.480   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.001 -19.250   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.334 -19.250   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3    9                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    8                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5                                                            
CONECT    8    4                                                            
CONECT    9    2   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   21                                                  
CONECT   16   15   17   20                                                  
CONECT   17   16   18                                                       
CONECT   18   17   13   19                                                  
CONECT   19   18                                                            
CONECT   20   16                                                            
CONECT   21   15   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₀O₅

Average Mass

340.3750 Da

Monoisotopic Mass

340.13107 Da

IUPAC Name

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

Traditional Name

broussochalcone A

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C20H20O5/c1-12(2)3-6-14-10-15(19(24)11-18(14)23)16(21)7-4-13-5-8-17(22)20(25)9-13/h3-5,7-11,22-25H,6H2,1-2H3/b7-4+

InChI Key

FEALTYYKRMRXTG-QPJJXVBHSA-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
Broussonetia papyrifera	Plant	KNApSAcK
Medicago sativa	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 3-prenylated chalcones. These are chalcones featuring a C5-isoprenoid unit at the 3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Linear 1,3-diarylpropanoids

Sub Class

Chalcones and dihydrochalcones

Direct Parent

3-prenylated chalcones

Alternative Parents

Substituents

3-prenylated chalcone
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

Chalcones and dihydrochalcones (LMPK12120051 )

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	3.46	ALOGPS
logP	5.05	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	7.05	ChemAxon
pKa (Strongest Basic)	-6.3	ChemAxon
Physiological Charge	-1	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	36.39 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

C00007095

Chemspider ID

4943275

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6438825

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Ghosh R, Chakraborty A, Biswas A, Chowdhuri S: Identification of polyphenols from Broussonetia papyrifera as SARS CoV-2 main protease inhibitors using in silico docking and molecular dynamics simulation approaches. J Biomol Struct Dyn. 2021 Oct;39(17):6747-6760. doi: 10.1080/07391102.2020.1802347. Epub 2020 Aug 7. [PubMed:32762411 ]
Lee HK, Cha HS, Nam MJ, Park K, Yang YH, Lee J, Park SH: Broussochalcone A Induces Apoptosis in Human Renal Cancer Cells via ROS Level Elevation and Activation of FOXO3 Signaling Pathway. Oxid Med Cell Longev. 2021 Oct 27;2021:2800706. doi: 10.1155/2021/2800706. eCollection 2021. [PubMed:34745413 ]
Lee HS, Kim SH, Kim BM, Safe S, Lee SO: Broussochalcone A Is a Novel Inhibitor of the Orphan Nuclear Receptor NR4A1 and Induces Apoptosis in Pancreatic Cancer Cells. Molecules. 2021 Apr 16;26(8). pii: molecules26082316. doi: 10.3390/molecules26082316. [PubMed:33923503 ]
Shin S, Son Y, Liu KH, Kang W, Oh S: Cytotoxic activity of broussochalcone a against colon and liver cancer cells by promoting destruction complex-independent beta-catenin degradation. Food Chem Toxicol. 2019 Sep;131:110550. doi: 10.1016/j.fct.2019.05.058. Epub 2019 Jun 1. [PubMed:31163223 ]
Park SH, Lee J, Shon JC, Phuc NM, Jee JG, Liu KH: The inhibitory potential of Broussochalcone A for the human cytochrome P450 2J2 isoform and its anti-cancer effects via FOXO3 activation. Phytomedicine. 2018 Mar 15;42:199-206. doi: 10.1016/j.phymed.2018.03.032. Epub 2018 Mar 19. [PubMed:29655687 ]

Showing NP-Card for Broussochalcone A (NP0054789)

MOL for NP0054789 (Broussochalcone A)

3D MOL for NP0054789 (Broussochalcone A)

3D SDF for NP0054789 (Broussochalcone A)

3D-SDF for NP0054789 (Broussochalcone A)

PDB for NP0054789 (Broussochalcone A)

3D PDB for NP0054789 (Broussochalcone A)

SMILES for NP0054789 (Broussochalcone A)

INCHI for NP0054789 (Broussochalcone A)

Structure for NP0054789 (Broussochalcone A)

3D Structure for NP0054789 (Broussochalcone A)