NP-MRD: Showing NP-Card for Broussochalcone B (NP0054763)

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Record Information

Version

2.0

Created at

2022-04-28 01:00:44 UTC

Updated at

2026-02-22 08:01:25 UTC

NP-MRD ID

NP0054763

Natural Product DOI

https://doi.org/10.57994/7972

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Broussochalcone B

Description

Broussochalcone b 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 b is considered to be a flavonoid. Broussochalcone B is found in Broussonetia papyrifera , Cullen corylifolium, Medicago sativa and Sophora prostrata. Broussochalcone B was first documented in 2015 (PMID: 26997699). Based on a literature review a small amount of articles have been published on Broussochalcone b (PMID: 28112000) (PMID: 33527835).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 45  0  0  0  0  0  0  0  0999 V2000
   -6.6030   -0.3859    0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6665    0.6505   -0.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2173    2.0680   -0.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4313    0.4339   -0.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8011   -0.8938   -0.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4952   -0.7431    0.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3387   -0.6783   -0.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0796   -0.5132    0.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0384   -0.4545   -0.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6833   -0.5860   -2.0993 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -0.2990   -0.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3671   -0.1308    0.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8177    0.0033   -0.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6728    0.1937    0.9286 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0315    0.3283    0.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5951    0.2769   -0.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9804    0.4108   -0.6448 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7650    0.0907   -1.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3731   -0.0476   -1.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0247   -0.4178    1.4405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1588   -0.2563    2.1122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2080   -0.4847    2.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4323   -0.6470    1.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5684   -0.7092    2.3840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6995   -0.3162    1.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3824   -1.4059   -0.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6332   -0.1736   -0.1903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4339    2.7389   -0.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0972    1.9859   -1.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5410    2.3103    0.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8243    1.2753   -0.9274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3824   -1.6662   -0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6200   -1.2515   -1.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4562   -0.7619   -1.5975 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9371   -0.3266   -1.8032 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0896   -0.0792    1.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2736    0.2407    1.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6834    0.4746    1.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4160    1.3203   -0.7904 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1801    0.0443   -2.5601 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7726   -0.1920   -2.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2342   -0.1827    3.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1077   -0.4024    3.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4698   -0.8411    1.9805 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 23  2  0
 23 24  1  0
 23 22  1  0
 22 20  2  0
 20 21  1  0
 20  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  2  0
  7  6  1  0
 19 13  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  3 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  5 32  1  0
  5 33  1  0
 24 44  1  0
 22 43  1  0
 21 42  1  0
  7 34  1  0
 11 35  1  0
 12 36  1  0
 14 37  1  0
 15 38  1  0
 17 39  1  0
 18 40  1  0
 19 41  1  0
M  END


  Mrv1652304282203002D          

 24 25  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
    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
  2  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
 10 12  1  0  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
 17 18  1  0  0  0  0
 15 19  1  0  0  0  0
 14 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
 22 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0054763

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C20H20O4/c1-13(2)3-7-15-11-17(20(24)12-19(15)23)18(22)10-6-14-4-8-16(21)9-5-14/h3-6,8-12,21,23-24H,7H2,1-2H3/b10-6+

> <INCHI_KEY>
BLZGPHNVMRXDCB-UXBLZVDNSA-N

> <FORMULA>
C20H20O4

> <MOLECULAR_WEIGHT>
324.376

> <EXACT_MASS>
324.136159124

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
35.43313680268194

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
4.03

> <JCHEM_LOGP>
5.358196343333335

> <ALOGPS_LOGS>
-4.69

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.457585214414449

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.054952662687921

> <JCHEM_PKA_STRONGEST_BASIC>
-6.35294698698224

> <JCHEM_POLAR_SURFACE_AREA>
77.76

> <JCHEM_REFRACTIVITY>
97.06250000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.64e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
broussochalcone B

> <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  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       5.335 -12.320   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667 -13.860   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334 -14.630   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000 -13.860   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000 -12.320   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       1.334 -10.010   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -1.334 -14.630   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       1.334 -16.170   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.667 -16.940   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667 -18.480   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.001 -19.250   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.334 -19.250   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5                                                            
CONECT    8    2    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   20                                                  
CONECT   15   14   16   19                                                  
CONECT   16   15   17                                                       
CONECT   17   16   12   18                                                  
CONECT   18   17                                                            
CONECT   19   15                                                            
CONECT   20   14   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₀O₄

Average Mass

324.3760 Da

Monoisotopic Mass

324.13616 Da

IUPAC Name

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

Traditional Name

broussochalcone B

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=C1

InChI Identifier

InChI=1S/C20H20O4/c1-13(2)3-7-15-11-17(20(24)12-19(15)23)18(22)10-6-14-4-8-16(21)9-5-14/h3-6,8-12,21,23-24H,7H2,1-2H3/b10-6+

InChI Key

BLZGPHNVMRXDCB-UXBLZVDNSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View

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

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 400.0, Methanol-d4, simulated)	epoynton@sfu.ca	Not Available	Not Available	2026-02-22	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Aspergillus niger KCCM 60332		Not Available
Broussonetia papyrifera	Plant	KNApSAcK
Cullen corylifolium	LOTUS Database	35616633
Medicago sativa	Plant	KNApSAcK
Sophora prostrata	LOTUS Database	35616633

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

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Chalcones and dihydrochalcones (LMPK12120045 )

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	4.03	ALOGPS
logP	5.36	ChemAxon
logS	-4.7	ALOGPS
pKa (Strongest Acidic)	7.05	ChemAxon
pKa (Strongest Basic)	-6.4	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	77.76 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	97.06 m³·mol⁻¹	ChemAxon
Polarizability	35.43 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

C00007068

Chemspider ID

4953423

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6450879

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Park JY, Yuk HJ, Ryu HW, Lim SH, Kim KS, Park KH, Ryu YB, Lee WS: Evaluation of polyphenols from Broussonetia papyrifera as coronavirus protease inhibitors. J Enzyme Inhib Med Chem. 2017 Dec;32(1):504-515. doi: 10.1080/14756366.2016.1265519. [PubMed:28112000 ]
Yin FZ, Li L, Lu TL, Li WD, Cai BC, Yin W: Quality Assessment of Psoralea fructus by HPLC Fingerprint Coupled with Multi-components Analysis. Indian J Pharm Sci. 2015 Nov-Dec;77(6):715-22. doi: 10.4103/0250-474x.174996. [PubMed:26997699 ]
Xiao Y, Han F, Kim MJ, Lee KY, Lee IS: Microbial Transformation of Broussochalcones A and B by Aspergillus niger. J Nat Prod. 2021 Mar 26;84(3):601-607. doi: 10.1021/acs.jnatprod.0c01102. Epub 2021 Feb 2. [PubMed:33527835 ]
DOI: 10.1021/acs.jnatprod.0c01102
PMID: 33527835

Showing NP-Card for Broussochalcone B (NP0054763)

MOL for NP0054763 (Broussochalcone B)

3D MOL for NP0054763 (Broussochalcone B)

3D SDF for NP0054763 (Broussochalcone B)

3D-SDF for NP0054763 (Broussochalcone B)

PDB for NP0054763 (Broussochalcone B)

3D PDB for NP0054763 (Broussochalcone B)

SMILES for NP0054763 (Broussochalcone B)

INCHI for NP0054763 (Broussochalcone B)

Structure for NP0054763 (Broussochalcone B)

3D Structure for NP0054763 (Broussochalcone B)