NP-MRD: Showing NP-Card for Lonchocarpin (NP0054748)

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Record Information

Version

2.0

Created at

2022-04-28 01:00:06 UTC

Updated at

2022-04-28 01:00:07 UTC

NP-MRD ID

NP0054748

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Lonchocarpin

Description

Lonchocarpin 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, lonchocarpin is considered to be a flavonoid. Lonchocarpin is found in Derris floribunda , Derris sericea, Erythroxylum barbatum, Lonchocarpus laxiflorus , Lonchocarpus neuroscapha, Lonchocarpus sericeus, Lonchocarpus xuul, Millettia pulchra, Philenoptera laxiflora and Millettia pinnata. Lonchocarpin was first documented in 2017 (PMID: 28878321). Based on a literature review a small amount of articles have been published on Lonchocarpin (PMID: 33690211) (PMID: 31911193) (PMID: 31817828) (PMID: 30148638).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 43  0  0  0  0  0  0  0  0999 V2000
    5.9419   -1.0277    1.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0043    0.1174    0.6997 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7140    1.4028    1.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8368    0.1449   -0.7487 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6437    0.1229   -1.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4087    0.0698   -0.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5746    0.0440    0.8598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4124   -0.0068    1.6344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1445   -0.0315    1.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0077   -0.0050   -0.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2974   -0.0281   -0.9095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3269   -0.0009   -2.1720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4980   -0.0803   -0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6689   -0.1000   -0.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9523   -0.1516   -0.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0648   -0.1853    1.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3125   -0.2349    1.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4437   -0.2503    1.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3150   -0.2160   -0.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0947   -0.1675   -0.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1564    0.0461   -1.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0072    0.0725   -2.4501 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8131    0.0674    1.4069 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8155   -0.9432    0.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4649   -1.9974    0.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3055   -0.8649    2.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9291    2.2027    1.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5663    1.6442    0.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9378    1.2929    2.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7061    0.1852   -1.4346 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5340    0.1440   -2.3956 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5337   -0.0271    2.7044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7287   -0.0713    1.7646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5062   -0.1042    0.9421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6405   -0.0750   -1.8346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2164   -0.1758    1.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4079   -0.2616    2.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4515   -0.2884    1.5328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1951   -0.2279   -0.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0501   -0.1420   -1.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7127    0.1078   -3.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2 23  1  0
 23  7  1  0
  7  6  2  0
  6  5  1  0
  5  4  2  0
  6 21  1  0
 21 22  1  0
 21 10  2  0
 10  9  1  0
  9  8  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
 17 18  2  0
 18 19  1  0
 19 20  2  0
  4  2  1  0
 20 15  1  0
  8  7  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  3 27  1  0
  3 28  1  0
  3 29  1  0
  5 31  1  0
  4 30  1  0
 22 41  1  0
  9 33  1  0
  8 32  1  0
 13 34  1  0
 14 35  1  0
 16 36  1  0
 17 37  1  0
 18 38  1  0
 19 39  1  0
 20 40  1  0
M  END


  Mrv1652304282203002D          

 23 25  0  0  0  0            999 V2000
    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
   -0.7145   -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
   -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
   -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
   -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
   -4.2868   -2.4750    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
   -3.5724   -1.2375    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
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  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
 12 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
 11 16  1  0  0  0  0
  3 17  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0054748

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(C)OC2=C(C=C1)C(O)=C(C=C2)C(=O)\C=C\C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C20H18O3/c1-20(2)13-12-16-18(23-20)11-9-15(19(16)22)17(21)10-8-14-6-4-3-5-7-14/h3-13,22H,1-2H3/b10-8+

> <INCHI_KEY>
UEXPKLJRGIWQBF-CSKARUKUSA-N

> <FORMULA>
C20H18O3

> <MOLECULAR_WEIGHT>
306.361

> <EXACT_MASS>
306.12559444

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
34.45870365335804

> <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-phenylprop-2-en-1-one

> <ALOGPS_LOGP>
4.99

> <JCHEM_LOGP>
5.137383389333334

> <ALOGPS_LOGS>
-4.86

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
17.393444551407175

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.05668268087859

> <JCHEM_PKA_STRONGEST_BASIC>
-4.924392803791436

> <JCHEM_POLAR_SURFACE_AREA>
46.53

> <JCHEM_REFRACTIVITY>
93.25130000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.26e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
lonchocarpin

> <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  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -2.667   1.540   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       5.540  -2.364   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.817  -3.616   0.000  0.00  0.00           C+0
CONECT    1    2    6   21                                                  
CONECT    2    1    3   18                                                  
CONECT    3    2    4   17                                                  
CONECT    4    3    5    7                                                  
CONECT    5    4    6                                                       
CONECT    6    5    1                                                       
CONECT    7    4    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   11                                                       
CONECT   17    3                                                            
CONECT   18    2   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22   23                                             
CONECT   21   20    1                                                       
CONECT   22   20                                                            
CONECT   23   20                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Value	Source
1-(5-Hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-phenylprop-2-en-1-one	MeSH
Lonchocarpine	MeSH

Chemical Formula

C₂₀H₁₈O₃

Average Mass

306.3610 Da

Monoisotopic Mass

306.12559 Da

IUPAC Name

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

Traditional Name

lonchocarpin

CAS Registry Number

Not Available

SMILES

CC1(C)OC2=C(C=C1)C(O)=C(C=C2)C(=O)\C=C\C1=CC=CC=C1

InChI Identifier

InChI=1S/C20H18O3/c1-20(2)13-12-16-18(23-20)11-9-15(19(16)22)17(21)10-8-14-6-4-3-5-7-14/h3-13,22H,1-2H3/b10-8+

InChI Key

UEXPKLJRGIWQBF-CSKARUKUSA-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
Derris floribunda	Plant	KNApSAcK
Derris sericea	Plant	KNApSAcK
Erythroxylum barbatum	LOTUS Database	35616633
Lonchocarpus laxiflorus	Plant	KNApSAcK
Lonchocarpus neuroscapha	Plant	KNApSAcK
Lonchocarpus sericeus	LOTUS Database	35616633
Lonchocarpus xuul	Plant	KNApSAcK
Millettia pulchra	LOTUS Database	35616633
Philenoptera laxiflora	LOTUS Database	35616633
Pongamia pinnata	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
2,2-dimethyl-1-benzopyran
Benzopyran
1-benzopyran
Styrene
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Acryloyl-group
Enone
Vinylogous acid
Alpha,beta-unsaturated ketone
Ketone
Ether
Oxacycle
Organoheterocyclic compound
Organooxygen compound
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Chalcones and dihydrochalcones (LMPK12120012 )

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	4.99	ALOGPS
logP	5.14	ChemAxon
logS	-4.9	ALOGPS
pKa (Strongest Acidic)	7.06	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	46.53 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	93.25 m³·mol⁻¹	ChemAxon
Polarizability	34.46 Å³	ChemAxon
Number of Rings	3	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

C00007050

Chemspider ID

4872188

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6283743

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Griebler A, Weyand Banhuk F, Staffen IV, Antunes Maciel Bortoluzzi A, Soprani Ayala T, Ferreira Gandra R, Schuquel ITA, Alves da Silva EA, Marinho Jorge TC, Andrade Menolli R: Anti-Trypanosoma cruzi activity, cytotoxicity, and chemical characterization of extracts from seeds of Lonchocarpus cultratus. J Infect Dev Ctries. 2021 Mar 7;15(2):270-279. doi: 10.3855/jidc.12669. [PubMed:33690211 ]
Reis SVD, Couto NMG, Brust FR, Trentin DS, Silva JKRD, Arruda MSP, Gnoatto SCB, Macedo AJ: Remarkable capacity of brosimine b to disrupt methicillin-resistant Staphylococcus aureus (MRSA) preformed biofilms. Microb Pathog. 2020 Mar;140:103967. doi: 10.1016/j.micpath.2020.103967. Epub 2020 Jan 3. [PubMed:31911193 ]
Predes D, Oliveira LFS, Ferreira LSS, Maia LA, Delou JMA, Faletti A, Oliveira I, Amado NG, Reis AH, Fraga CAM, Kuster R, Mendes FA, Borges HL, Abreu JG: The Chalcone Lonchocarpin Inhibits Wnt/beta-Catenin Signaling and Suppresses Colorectal Cancer Proliferation. Cancers (Basel). 2019 Dec 7;11(12):1968. doi: 10.3390/cancers11121968. [PubMed:31817828 ]
Kumar SN, Bavikar SR, Pavan Kumar CNSS, Yu IF, Chein RJ: From Carbamate to Chalcone: Consecutive Anionic Fries Rearrangement, Anionic Si --> C Alkyl Rearrangement, and Claisen-Schmidt Condensation. Org Lett. 2018 Sep 7;20(17):5362-5366. doi: 10.1021/acs.orglett.8b02269. Epub 2018 Aug 27. [PubMed:30148638 ]
Chen G, Zhou D, Li XZ, Jiang Z, Tan C, Wei XY, Ling J, Jing J, Liu F, Li N: A natural chalcone induces apoptosis in lung cancer cells: 3D-QSAR, docking and an in vivo/vitro assay. Sci Rep. 2017 Sep 6;7(1):10729. doi: 10.1038/s41598-017-11369-9. [PubMed:28878321 ]

Showing NP-Card for Lonchocarpin (NP0054748)

MOL for NP0054748 (Lonchocarpin)

3D MOL for NP0054748 (Lonchocarpin)

3D SDF for NP0054748 (Lonchocarpin)

3D-SDF for NP0054748 (Lonchocarpin)

PDB for NP0054748 (Lonchocarpin)

3D PDB for NP0054748 (Lonchocarpin)

SMILES for NP0054748 (Lonchocarpin)

INCHI for NP0054748 (Lonchocarpin)

Structure for NP0054748 (Lonchocarpin)

3D Structure for NP0054748 (Lonchocarpin)