NP-MRD: Showing NP-Card for Isocordoin (NP0054743)

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Record Information

Version

2.0

Created at

2022-04-28 00:59:56 UTC

Updated at

2022-04-28 00:59:56 UTC

NP-MRD ID

NP0054743

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Isocordoin

Description

Isocordoin 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, isocordoin is considered to be a flavonoid. Isocordoin is found in Derris floribunda , Flemingia stricta , Lonchocarpus guatemalensis, Lonchocarpus neuroscapha, Lonchocarpus sericeus, Morus nigra and Tephrosia spinosa. Isocordoin was first documented in 2019 (PMID: 31489735). Based on a literature review a small amount of articles have been published on Isocordoin (PMID: 33690211) (PMID: 33424286) (PMID: 32925227) (PMID: 31401870).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 44  0  0  0  0  0  0  0  0999 V2000
   -4.9640    2.0137    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0313    0.6355   -0.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7920    0.3912   -1.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4360   -0.3786    0.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6508   -0.2444    1.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2668   -0.7207    0.9915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0129   -2.0333    0.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0340   -2.9513    1.0321 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7590   -2.5010    0.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2352   -1.5298    0.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0662   -0.1878    0.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0737    0.8334    0.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6513    2.0790    0.5323 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4717    0.8038    0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3166   -0.1554   -0.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7349    0.0166   -0.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3187    1.2559   -0.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6774    1.3984   -0.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4400    0.2945   -0.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8706   -0.9699   -0.9325 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.0949   -0.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2509    0.2418    0.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5497    1.5389    0.9635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2364    1.9432    1.0971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9371    2.3948   -0.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6848    2.6710   -0.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6973    1.0423   -1.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1423    0.6404   -2.6435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1165   -0.6837   -1.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5155   -1.3642   -0.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6168    0.8158    1.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0612   -0.8633    2.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8838   -3.9365    0.9477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345   -3.5515    0.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1975   -1.9243    0.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0049    1.8149    0.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9728   -1.1633   -0.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8102    2.1968   -0.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1544    2.3817   -0.8101 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4989    0.3547   -1.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4581   -1.8699   -1.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0946   -2.0715   -0.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4064    2.4371    0.9820 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  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 11 22  2  0
 22 23  1  0
 22  6  1  0
 21 16  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
  4 30  1  0
  5 31  1  0
  5 32  1  0
  8 33  1  0
  9 34  1  0
 10 35  1  0
 14 36  1  0
 15 37  1  0
 17 38  1  0
 18 39  1  0
 19 40  1  0
 20 41  1  0
 21 42  1  0
 23 43  1  0
M  END


  Mrv1652304282202592D          

 23 24  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
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 O   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
    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
    4.2868   -4.1250    0.0000 O   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
    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 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  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  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  1 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0054743

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCC1=C(O)C=CC(C(=O)\C=C\C2=CC=CC=C2)=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C20H20O3/c1-14(2)8-10-16-19(22)13-11-17(20(16)23)18(21)12-9-15-6-4-3-5-7-15/h3-9,11-13,22-23H,10H2,1-2H3/b12-9+

> <INCHI_KEY>
CHWWSUSAPRACBZ-FMIVXFBMSA-N

> <FORMULA>
C20H20O3

> <MOLECULAR_WEIGHT>
308.377

> <EXACT_MASS>
308.141244504

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
34.73383602105142

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
4.50

> <JCHEM_LOGP>
5.661761665

> <ALOGPS_LOGS>
-4.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.563893809350986

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.929822379484177

> <JCHEM_PKA_STRONGEST_BASIC>
-6.680592760488861

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
95.08160000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.77e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
isocordoin

> <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  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       6.668 -10.010   0.000  0.00  0.00           O+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  C   UNK     0       2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.667 -13.860   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334 -14.630   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.000 -13.860   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.000 -12.320   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
CONECT    1    2    6   23                                                  
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                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23    1                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₀O₃

Average Mass

308.3770 Da

Monoisotopic Mass

308.14124 Da

IUPAC Name

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

Traditional Name

isocordoin

CAS Registry Number

Not Available

SMILES

CC(C)=CCC1=C(O)C=CC(C(=O)\C=C\C2=CC=CC=C2)=C1O

InChI Identifier

InChI=1S/C20H20O3/c1-14(2)8-10-16-19(22)13-11-17(20(16)23)18(21)12-9-15-6-4-3-5-7-15/h3-9,11-13,22-23H,10H2,1-2H3/b12-9+

InChI Key

CHWWSUSAPRACBZ-FMIVXFBMSA-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
Flemingia stricta	Plant	KNApSAcK
Lonchocarpus guatemalensis	LOTUS Database	35616633
Lonchocarpus neuroscapha	Plant	KNApSAcK
Lonchocarpus sericeus	Plant	KNApSAcK
Morus nigra	LOTUS Database	35616633
Tephrosia spinosa	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
Benzoyl
Resorcinol
Styrene
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Acryloyl-group
Enone
Vinylogous acid
Alpha,beta-unsaturated ketone
Ketone
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Organic oxide
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Chalcones and dihydrochalcones (LMPK12120007 )

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	4.5	ALOGPS
logP	5.66	ChemAxon
logS	-4.2	ALOGPS
pKa (Strongest Acidic)	6.93	ChemAxon
pKa (Strongest Basic)	-6.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	57.53 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	95.08 m³·mol⁻¹	ChemAxon
Polarizability	34.73 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

C00007045

Chemspider ID

4862582

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6251270

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 ]
Bortoluzzi AAM, Staffen IV, Banhuk FW, Griebler A, Matos PK, Ayala TS, da Silva EAA, Sarragiotto MH, Schuquel ITA, Jorge TCM, Menolli RA: Determination of chemical structure and anti-Trypanosoma cruzi activity of extracts from the roots of Lonchocarpus cultratus (Vell.) A.M.G. Azevedo & H.C. Lima. Saudi J Biol Sci. 2021 Jan;28(1):99-108. doi: 10.1016/j.sjbs.2020.08.036. Epub 2020 Sep 1. [PubMed:33424286 ]
Da Silva GF, De Campos Buzzi F, Santin JR, Yam-Puc A, Escalante-Erosa F, Sosa KG, Klein LC Jr, Pena Rodriguez LM, Cechinel Filho V, Quintao NLM: Anti-inflammatory and anti-hypersensitive effects of the chalcone isocordoin and its semisynthetic derivatives in mice. Behav Pharmacol. 2020 Dec;31(8):716-727. doi: 10.1097/FBP.0000000000000577. [PubMed:32925227 ]
Russo A, Cardile V, Avola R, Graziano A, Montenegro I, Said B, Madrid A: Isocordoin analogues promote apoptosis in human melanoma cells via Hsp70. Phytother Res. 2019 Dec;33(12):3242-3250. doi: 10.1002/ptr.6498. Epub 2019 Sep 5. [PubMed:31489735 ]
da Silva Landim EMBM, Ruiz ALTG, de Carvalho JE, Pomini AM, Pastorini LH, Oliveira Santin SM: Antiproliferative activity and chemical constituents of Lonchocarpus cultratus (Fabaceae). Nat Prod Res. 2021 Jun;35(12):2056-2059. doi: 10.1080/14786419.2019.1647427. Epub 2019 Aug 12. [PubMed:31401870 ]

Showing NP-Card for Isocordoin (NP0054743)

MOL for NP0054743 (Isocordoin)

3D MOL for NP0054743 (Isocordoin)

3D SDF for NP0054743 (Isocordoin)

3D-SDF for NP0054743 (Isocordoin)

PDB for NP0054743 (Isocordoin)

3D PDB for NP0054743 (Isocordoin)

SMILES for NP0054743 (Isocordoin)

INCHI for NP0054743 (Isocordoin)

Structure for NP0054743 (Isocordoin)

3D Structure for NP0054743 (Isocordoin)