NP-MRD: Showing NP-Card for Licochalcone A (NP0054755)

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Record Information

Version

2.0

Created at

2022-04-28 01:00:25 UTC

Updated at

2022-04-28 01:00:25 UTC

NP-MRD ID

NP0054755

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Licochalcone A

Description

Licochalcone a belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions. Thus, licochalcone a is considered to be a flavonoid. Licochalcone A is found in Euphorbia helioscopia L. , Glycyrrhiza eurycarpa, Glycyrrhiza glabra , Glycyrrhiza inflata , Glycyrrhiza kansuensis, Glycyrrhiza uralensis , Pogostemon cablin and Spatholobus suberectus . Licochalcone A was first documented in 2022 (PMID: 35458701). Based on a literature review a small amount of articles have been published on Licochalcone a (PMID: 35419071) (PMID: 35372072) (PMID: 35366469) (PMID: 35309168).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 47 48  0  0  0  0  0  0  0  0999 V2000
   -4.0196    1.2198    2.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2993    0.8888    1.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4364    1.3904    0.2722 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7536    2.6369    0.7272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3668    1.7942   -0.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5411    0.2919   -0.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1767    0.3280   -0.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3563   -0.7513   -0.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0850   -0.6149   -0.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0348   -1.4414   -0.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4669   -1.3362   -0.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0491   -2.4287   -1.0401 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3306   -0.2971   -0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6903   -0.3973   -0.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6402    0.4899   -0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3035    1.5516    0.7808 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2593    2.4746    1.2271 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9887    1.6837    1.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0104    0.7681    0.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9438   -1.8937   -0.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2494   -3.0345   -1.3267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9308   -4.1678   -1.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3434   -1.9322   -0.9565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1315   -0.8731   -0.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5071   -1.0162   -0.6586 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1792    1.8463    2.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6312    0.8687    3.4335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1570    0.2560    1.1839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4691    3.3130   -0.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9141    2.3901    1.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4987    3.2012    1.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8789    1.7952   -1.8377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3030    1.1651   -0.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7281    2.8158   -0.6264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7142    1.2347    0.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4275    0.3862   -0.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6427   -2.4291   -1.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9933   -1.2341   -1.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    0.3966   -0.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4765    3.3106    0.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6685    2.5126    1.7626 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0170    0.9036    1.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6152   -3.8866   -2.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2815   -4.9835   -2.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6273   -4.4871   -0.9442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7900   -2.8525   -1.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9371   -1.8563   -0.9861 H   0  0  0  0  0  0  0  0  0  0  0  0
 22 21  1  0
 21 20  1  0
 20  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 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
  8  7  1  0
  7  6  2  0
  6 24  1  0
 24 25  1  0
 24 23  2  0
  6  3  1  0
  3  4  1  1
  3  5  1  0
  3  2  1  0
  2  1  2  3
 23 20  1  0
 19 13  1  0
 22 43  1  0
 22 44  1  0
 22 45  1  0
  9 36  1  0
 10 37  1  0
 14 38  1  0
 15 39  1  0
 17 40  1  0
 18 41  1  0
 19 42  1  0
  7 35  1  0
 25 47  1  0
 23 46  1  0
  4 29  1  0
  4 30  1  0
  4 31  1  0
  5 32  1  0
  5 33  1  0
  5 34  1  0
  2 28  1  0
  1 26  1  0
  1 27  1  0
M  END


  Mrv1652304282203002D          

 25 26  0  0  0  0            999 V2000
    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
    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
    1.4289   -4.1250    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
    2.8579   -5.7750    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
    3.6829   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 O   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
    2.1434   -1.2375    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
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  2 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
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 20 23  1  0  0  0  0
  1 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0054755

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(\C=C\C(=O)C2=CC=C(O)C=C2)C=C(C(O)=C1)C(C)(C)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+

> <INCHI_KEY>
KAZSKMJFUPEHHW-DHZHZOJOSA-N

> <FORMULA>
C21H22O4

> <MOLECULAR_WEIGHT>
338.403

> <EXACT_MASS>
338.151809188

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
37.497594059455686

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
4.74

> <JCHEM_LOGP>
4.811160349333333

> <ALOGPS_LOGS>
-4.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.90456438425105

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.830492476844746

> <JCHEM_PKA_STRONGEST_BASIC>
-4.8519755505754985

> <JCHEM_POLAR_SURFACE_AREA>
66.76

> <JCHEM_REFRACTIVITY>
100.613

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.53e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
licochalcone 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       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       2.667  -7.700   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       5.335 -10.780   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  C   UNK     0       6.875  -9.240   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.795  -9.240   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      10.669  -3.080   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      13.337  -4.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      14.670  -5.390   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      14.670  -6.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      13.337  -7.700   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      16.004  -7.700   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
CONECT    1    2    6   24                                                  
CONECT    2    1    3   13                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    8                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5                                                            
CONECT    8    4    9   11   12                                             
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11    8                                                            
CONECT   12    8                                                            
CONECT   13    2   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   23                                                  
CONECT   21   20   22                                                       
CONECT   22   21   17                                                       
CONECT   23   20                                                            
CONECT   24    1   25                                                       
CONECT   25   24                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   52    0
END

View in JSmol

Synonyms

Value	Source
3-Dimethylallyl-4,4'-dihydroxy-6-methoxychalcone	MeSH

Chemical Formula

C₂₁H₂₂O₄

Average Mass

338.4030 Da

Monoisotopic Mass

338.15181 Da

IUPAC Name

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

Traditional Name

licochalcone A

CAS Registry Number

Not Available

SMILES

COC1=C(\C=C\C(=O)C2=CC=C(O)C=C2)C=C(C(O)=C1)C(C)(C)C=C

InChI Identifier

InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+

InChI Key

KAZSKMJFUPEHHW-DHZHZOJOSA-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
Euphorbia helioscopia	Plant	KNApSAcK
Glycyrrhiza eurycarpa	Plant	KNApSAcK
Glycyrrhiza glabra	Plant	KNApSAcK
Glycyrrhiza inflata	Plant	KNApSAcK
Glycyrrhiza kansuensis	Plant	KNApSAcK
Glycyrrhiza uralensis	Plant	KNApSAcK
Pogostemon cablin	LOTUS Database	35616633
Spatholobus suberectus	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Linear 1,3-diarylpropanoids

Sub Class

Chalcones and dihydrochalcones

Direct Parent

Retrochalcones

Alternative Parents

Substituents

Retrochalcone
Cinnamylphenol
Hydroxycinnamic acid or derivatives
Methoxyphenol
Phenylpropane
Phenoxy compound
Anisole
Benzoyl
Methoxybenzene
Phenol ether
Aryl ketone
Styrene
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Enone
Alpha,beta-unsaturated ketone
Acryloyl-group
Ketone
Ether
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Chalcones and dihydrochalcones (LMPK12120424 )

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	4.74	ALOGPS
logP	4.81	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	7.83	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	66.76 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	100.61 m³·mol⁻¹	ChemAxon
Polarizability	37.5 Å³	ChemAxon
Number of Rings	2	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

C00007057

Chemspider ID

4477422

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Licochalcone A

METLIN ID

Not Available

PubChem Compound

5318998

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Wu W, Wang Z, Wu Y, Wu H, Chen T, Xue Y, Wang Y, Jiang C, Shen C, Liu L, Zhu H, Liu Q: Mechanisms of Penetration Enhancement and Transport Utilizing Skin Keratine Liposomes for the Topical Delivery of Licochalcone A. Molecules. 2022 Apr 13;27(8). pii: molecules27082504. doi: 10.3390/molecules27082504. [PubMed:35458701 ]
Wang Y, Zhou Z, Chen L, He X, Li H, Huang Y, Pu Y: Efficacy of Duhuo Jisheng Decoction in Treating Ankylosing Spondylitis: Clinical Evidence and Potential Mechanisms. Evid Based Complement Alternat Med. 2022 Apr 4;2022:3305773. doi: 10.1155/2022/3305773. eCollection 2022. [PubMed:35419071 ]
Wang Y, Zhang Y, Ding C, Jia C, Zhang H, Peng T, Cheng S, Chen W, Tan Y, Wang X, Liu Z, Wei P, Wang X, Jiang M, Hua Q: Exploration of the Potential Mechanism of Qi Yin San Liang San Decoction in the Treatment of EGFRI-Related Adverse Skin Reactions Using Network Pharmacology and In Vitro Experiments. Front Oncol. 2022 Mar 15;12:790713. doi: 10.3389/fonc.2022.790713. eCollection 2022. [PubMed:35372072 ]
Luo W, Ding R, Guo X, Zhan T, Tang T, Fan R, Wang Y: Clinical data mining reveals Gancao-Banxia as a potential herbal pair against moderate COVID-19 by dual binding to IL-6/STAT3. Comput Biol Med. 2022 Jun;145:105457. doi: 10.1016/j.compbiomed.2022.105457. Epub 2022 Mar 26. [PubMed:35366469 ]
Han S, Li X, Gan Y, Li W: Licochalcone A Promotes the Ubiquitination of c-Met to Abrogate Gefitinib Resistance. Biomed Res Int. 2022 Mar 10;2022:5687832. doi: 10.1155/2022/5687832. eCollection 2022. [PubMed:35309168 ]

Showing NP-Card for Licochalcone A (NP0054755)

MOL for NP0054755 (Licochalcone A)

3D MOL for NP0054755 (Licochalcone A)

3D SDF for NP0054755 (Licochalcone A)

3D-SDF for NP0054755 (Licochalcone A)

PDB for NP0054755 (Licochalcone A)

3D PDB for NP0054755 (Licochalcone A)

SMILES for NP0054755 (Licochalcone A)

INCHI for NP0054755 (Licochalcone A)

Structure for NP0054755 (Licochalcone A)

3D Structure for NP0054755 (Licochalcone A)