NP-MRD: Showing NP-Card for 4-Methoxylonchocarpin (NP0054761)

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Record Information

Version

2.0

Created at

2022-04-28 01:00:39 UTC

Updated at

2022-04-28 01:00:39 UTC

NP-MRD ID

NP0054761

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-Methoxylonchocarpin

Description

4-Methoxylonchocarpin 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. Thus, 4-methoxylonchocarpin is considered to be a flavonoid. 4-Methoxylonchocarpin is found in Dorstenia mannii and Millettia pachycarpa. 4-Methoxylonchocarpin was first documented in 2017 (PMID: 28189973). Based on a literature review very few articles have been published on 4-methoxylonchocarpin (PMID: 33212893).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 47  0  0  0  0  0  0  0  0999 V2000
    8.3991   -0.3971   -1.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0239   -0.3255    0.0485 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6787   -0.2587    0.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3632   -0.1902    1.7421 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0455   -0.1232    2.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9802   -0.1199    1.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6121   -0.0468    1.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5401   -0.0376    0.9383 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1877    0.0399    1.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0965    0.0958    2.7903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0002    0.0515    0.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8999   -0.0110   -0.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0127   -0.0022   -1.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2603    0.0694   -0.9351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4200    0.1324    0.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2734    0.1223    1.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5449    0.1891    2.5852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7494    0.2082    1.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8078    0.2172    0.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7045    0.1520   -1.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4580    1.3803   -1.7468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4323   -1.1158   -1.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4175    0.0806   -1.7349 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3225   -0.1890   -0.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6582   -0.2581   -0.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7484   -1.1585   -1.7906 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4696   -0.7146   -1.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3488    0.5933   -1.8093 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1803   -0.1908    2.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7887   -0.0689    3.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4471    0.0043    2.7718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6942   -0.0874   -0.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0634   -0.0675   -1.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8905   -0.0525   -2.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9102    0.1948    3.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8102    0.2561    2.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7948    0.2731    0.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5365    1.1211   -1.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2704    2.2650   -1.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1405    1.6488   -2.7552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7930   -1.0010   -2.6882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2678   -1.2885   -0.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7088   -1.9442   -1.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495   -0.1905   -0.8537 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9060   -0.3116   -1.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  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 23  1  0
 23 20  1  0
 20 21  1  0
 20 22  1  0
 20 19  1  0
 19 18  2  0
 18 15  1  0
 15 16  2  0
 16 17  1  0
  6 24  1  0
 24 25  2  0
 25  3  1  0
 16 11  1  0
 15 14  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  4 29  1  0
  5 30  1  0
  7 31  1  0
  8 32  1  0
 12 33  1  0
 13 34  1  0
 21 38  1  0
 21 39  1  0
 21 40  1  0
 22 41  1  0
 22 42  1  0
 22 43  1  0
 19 37  1  0
 18 36  1  0
 17 35  1  0
 24 44  1  0
 25 45  1  0
M  END


  Mrv1652304282203002D          

 25 27  0  0  0  0            999 V2000
   -4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    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
   -4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    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   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   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
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   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
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    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
    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 O   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
    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
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9679   -1.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5806   -1.9371    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
  7  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
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 16 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0054761

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(\C=C\C(=O)C2=CC=C3OC(C)(C)C=CC3=C2O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C21H20O4/c1-21(2)13-12-17-19(25-21)11-9-16(20(17)23)18(22)10-6-14-4-7-15(24-3)8-5-14/h4-13,23H,1-3H3/b10-6+

> <INCHI_KEY>
XEVCTBKORYCFCZ-UXBLZVDNSA-N

> <FORMULA>
C21H20O4

> <MOLECULAR_WEIGHT>
336.387

> <EXACT_MASS>
336.136159124

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
37.67205861691054

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E)-1-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

> <ALOGPS_LOGP>
4.82

> <JCHEM_LOGP>
4.979712123666667

> <ALOGPS_LOGS>
-5.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
17.565380321223277

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.0566847891963755

> <JCHEM_PKA_STRONGEST_BASIC>
-4.570042411797619

> <JCHEM_POLAR_SURFACE_AREA>
55.760000000000005

> <JCHEM_REFRACTIVITY>
99.71449999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.40e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-methoxylonchocarpin

> <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      -8.002   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -8.002  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -9.336  -0.770   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0     -10.669  -3.080   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0     -12.003  -2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.335   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -2.667   1.540   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       5.540  -2.364   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.817  -3.616   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                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8                                                       
CONECT    8    7                                                            
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                                                       
CONECT   16   15   17   23                                                  
CONECT   17   16   18   20                                                  
CONECT   18   17   13   19                                                  
CONECT   19   18                                                            
CONECT   20   17   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24   25                                             
CONECT   23   22   16                                                       
CONECT   24   22                                                            
CONECT   25   22                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   54    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₁H₂₀O₄

Average Mass

336.3870 Da

Monoisotopic Mass

336.13616 Da

IUPAC Name

(2E)-1-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

Traditional Name

4-methoxylonchocarpin

CAS Registry Number

Not Available

SMILES

COC1=CC=C(\C=C\C(=O)C2=CC=C3OC(C)(C)C=CC3=C2O)C=C1

InChI Identifier

InChI=1S/C21H20O4/c1-21(2)13-12-17-19(25-21)11-9-16(20(17)23)18(22)10-6-14-4-7-15(24-3)8-5-14/h4-13,23H,1-3H3/b10-6+

InChI Key

XEVCTBKORYCFCZ-UXBLZVDNSA-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
Dorstenia mannii	Plant	KNApSAcK
Millettia pachycarpa	Plant	KNApSAcK

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
Cinnamic acid or derivatives
2,2-dimethyl-1-benzopyran
Benzopyran
1-benzopyran
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Aryl ketone
Styrene
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Monocyclic benzene moiety
Benzenoid
Acryloyl-group
Enone
Vinylogous acid
Alpha,beta-unsaturated ketone
Ketone
Ether
Organoheterocyclic compound
Oxacycle
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Chalcones and dihydrochalcones (LMPK12120079 )

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	4.82	ALOGPS
logP	4.98	ChemAxon
logS	-5.2	ALOGPS
pKa (Strongest Acidic)	7.06	ChemAxon
pKa (Strongest Basic)	-4.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	55.76 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	99.71 m³·mol⁻¹	ChemAxon
Polarizability	37.67 Å³	ChemAxon
Number of Rings	3	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

C00007063

Chemspider ID

8647600

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10472189

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Hussain H, Ali I, Wang D, Mamadalieva NZ, Hussain W, Csuk R, Loesche A, Fischer L, Staerk D, Anam S, AlZain MN, Mushtaq M, Ul-Haq Z, Ullah R, Noman OM, Abbas G, Green IR: 4-Benzyloxylonchocarpin and Muracatanes A-C from Ranunculus muricatus L. and Their Biological Effects. Biomolecules. 2020 Nov 17;10(11). pii: biom10111562. doi: 10.3390/biom10111562. [PubMed:33212893 ]
Jang HM, Kang GD, Van Le TK, Lim SM, Jang DS, Kim DH: 4-Methoxylonchocarpin attenuates inflammation by inhibiting lipopolysaccharide binding to Toll-like receptor of macrophages and M1 macrophage polarization. Int Immunopharmacol. 2017 Apr;45:90-97. doi: 10.1016/j.intimp.2017.02.003. Epub 2017 Feb 10. [PubMed:28189973 ]

Showing NP-Card for 4-Methoxylonchocarpin (NP0054761)

MOL for NP0054761 (4-Methoxylonchocarpin)

3D MOL for NP0054761 (4-Methoxylonchocarpin)

3D SDF for NP0054761 (4-Methoxylonchocarpin)

3D-SDF for NP0054761 (4-Methoxylonchocarpin)

PDB for NP0054761 (4-Methoxylonchocarpin)

3D PDB for NP0054761 (4-Methoxylonchocarpin)

SMILES for NP0054761 (4-Methoxylonchocarpin)

INCHI for NP0054761 (4-Methoxylonchocarpin)

Structure for NP0054761 (4-Methoxylonchocarpin)

3D Structure for NP0054761 (4-Methoxylonchocarpin)