NP-MRD: Showing NP-Card for 4',6'-Dihydroxy-3',5'-dimethyl-2'-methoxychalcone (NP0078872)

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Record Information

Version

2.0

Created at

2022-04-28 23:58:13 UTC

Updated at

2022-04-28 23:58:13 UTC

NP-MRD ID

NP0078872

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4',6'-Dihydroxy-3',5'-dimethyl-2'-methoxychalcone

Description

1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-2-propen-1-one, also known as 2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone or dimethyl cardamonin, 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, 1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-2-propen-1-one is considered to be a flavonoid lipid molecule. 1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-2-propen-1-one is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, 1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-2-propen-1-one has been detected, but not quantified in, herbs and spices. 4',6'-Dihydroxy-3',5'-dimethyl-2'-methoxychalcone is found in Dalea versicolor, Delea versicolor, Morella serrata, Myrica gale, Psorothamnus polydenius, Syzygium nervosum and Syzygium samarangense. This could make 1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-2-propen-1-one a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 40 41  0  0  0  0  0  0  0  0999 V2000
   -0.4824    1.4282   -1.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6809    0.0680   -1.4514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5281   -0.2391   -0.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8473   -0.4019   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2442   -0.2580   -2.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8222   -0.7047    0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1192   -0.8522   -0.2638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4448   -0.8358    1.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4481   -1.1633    2.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1387   -0.6792    1.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8087   -0.8256    3.1754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1422   -0.3741    0.8655 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1728   -0.1969    1.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1853   -0.2465    2.7231 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5046    0.0137    0.9332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1166    0.0596   -0.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5694    0.3140   -0.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0858    0.3362   -1.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4123    0.5634   -1.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2769    0.7784   -0.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7878    0.7608    0.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4317    0.5281    0.6512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4834    2.1283   -1.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4808    1.5269   -2.4161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2784    1.6204   -2.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6070    0.7912   -2.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1271   -0.9052   -2.4199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4569   -0.5567   -2.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9113   -1.0635    0.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4217   -1.4277    2.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5143   -0.3119    3.2254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0504   -2.0638    3.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5030   -1.0354    3.8504 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2738    0.2015    1.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724   -0.1524   -1.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4377    0.1701   -2.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8359    0.5846   -2.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3391    0.9621   -1.0409 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4515    0.9282    1.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1260    0.5303    1.6889 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
  4  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 12  3  1  0
 22 17  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  5 26  1  0
  5 27  1  0
  5 28  1  0
  7 29  1  0
  9 30  1  0
  9 31  1  0
  9 32  1  0
 11 33  1  0
 15 34  1  0
 16 35  1  0
 18 36  1  0
 19 37  1  0
 20 38  1  0
 21 39  1  0
 22 40  1  0
M  END


  Mrv0541 05061309452D          

 22 23  0  0  0  0            999 V2000
    0.7145    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    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
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    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
    0.7145    8.6625    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
    2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    7.0125    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
    0.0000    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
 10  9  2  0  0  0  0
 11  1  1  0  0  0  0
 12  2  1  0  0  0  0
 13  7  2  0  0  0  0
 13  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 11  2  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
 17 15  2  0  0  0  0
 18 12  2  0  0  0  0
 18 15  1  0  0  0  0
 19 14  2  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22  3  1  0  0  0  0
 22 18  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0078872

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(C)C(O)=C(C)C(O)=C1C(=O)\C=C\C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+

> <INCHI_KEY>
TZEQDSMFACWASC-MDZDMXLPSA-N

> <FORMULA>
C18H18O4

> <MOLECULAR_WEIGHT>
298.3331

> <EXACT_MASS>
298.120509064

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
32.43116689350882

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylprop-2-en-1-one

> <ALOGPS_LOGP>
3.82

> <JCHEM_LOGP>
4.8023661786666665

> <ALOGPS_LOGS>
-3.87

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.827431639789996

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.633823468025025

> <JCHEM_PKA_STRONGEST_BASIC>
-4.880983099903042

> <JCHEM_POLAR_SURFACE_AREA>
66.76

> <JCHEM_REFRACTIVITY>
87.38439999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.00e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylprop-2-en-1-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       1.334  17.710   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334  13.090   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667  10.780   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.668   6.930   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.668   8.470   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001   8.470   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       1.334  16.170   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000  13.860   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.335   9.240   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001  13.090   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667  13.860   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000  15.400   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667  15.400   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334  13.090   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       5.335  13.860   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -1.334  16.170   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       4.001  16.170   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       1.334  11.550   0.000  0.00  0.00           O+0
CONECT    1   11                                                            
CONECT    2   12                                                            
CONECT    3   22                                                            
CONECT    4    5    6                                                       
CONECT    5    4    7                                                       
CONECT    6    4    8                                                       
CONECT    7    5   13                                                       
CONECT    8    6   13                                                       
CONECT    9   10   13                                                       
CONECT   10    9   14                                                       
CONECT   11    1   16   17                                                  
CONECT   12    2   16   18                                                  
CONECT   13    7    8    9                                                  
CONECT   14   10   15   19                                                  
CONECT   15   14   17   18                                                  
CONECT   16   11   12   20                                                  
CONECT   17   11   15   21                                                  
CONECT   18   12   15   22                                                  
CONECT   19   14                                                            
CONECT   20   16                                                            
CONECT   21   17                                                            
CONECT   22    3   18                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

View in JSmol

Synonyms

Value	Source
1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-2-propen-1-one, 9ci	HMDB
2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone	HMDB
Dimethyl cardamonin	HMDB

Chemical Formula

C₁₈H₁₈O₄

Average Mass

298.3331 Da

Monoisotopic Mass

298.12051 Da

IUPAC Name

(2E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylprop-2-en-1-one

Traditional Name

(2E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylprop-2-en-1-one

CAS Registry Number

Not Available

SMILES

COC1=C(C)C(O)=C(C)C(O)=C1C(=O)\C=C\C1=CC=CC=C1

InChI Identifier

InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+

InChI Key

TZEQDSMFACWASC-MDZDMXLPSA-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
Dalea versicolor	LOTUS Database	35616633
Delea versicolor	-	KNApSAcK
Morella serrata	LOTUS Database	35616633
Myrica gale	LOTUS Database	35616633
Psorothamnus polydenius	LOTUS Database	35616633
Syzygium nervosum	LOTUS Database	35616633
Syzygium samarangense	LOTUS Database	35616633

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
Cinnamylphenol
Methoxyphenol
Xylenol
O-cresol
P-cresol
Phenol ether
Resorcinol
M-xylene
Xylene
Methoxybenzene
Benzoyl
Anisole
Aryl ketone
Phenoxy compound
Styrene
Phenol
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Acryloyl-group
Vinylogous acid
Enone
Alpha,beta-unsaturated ketone
Ketone
Ether
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

resorcinols (CHEBI:70658 )
monomethoxybenzene (CHEBI:70658 )
chalcones (CHEBI:70658 )
Chalcones and dihydrochalcones (LMPK12120225 )

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	3.82	ALOGPS
logP	4.8	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Acidic)	8.63	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	4	ChemAxon
Refractivity	87.38 m³·mol⁻¹	ChemAxon
Polarizability	32.43 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

HMDB0037376

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB016413

KNApSAcK ID

C00007044

Chemspider ID

8600190

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10424762

PDB ID

Not Available

ChEBI ID

70658

Good Scents ID

Not Available

References

General References

Showing NP-Card for 4',6'-Dihydroxy-3',5'-dimethyl-2'-methoxychalcone (NP0078872)

MOL for NP0078872 (4',6'-Dihydroxy-3',5'-dimethyl-2'-methoxychalcone)

3D MOL for NP0078872 (4',6'-Dihydroxy-3',5'-dimethyl-2'-methoxychalcone)

3D SDF for NP0078872 (4',6'-Dihydroxy-3',5'-dimethyl-2'-methoxychalcone)

3D-SDF for NP0078872 (4',6'-Dihydroxy-3',5'-dimethyl-2'-methoxychalcone)

PDB for NP0078872 (4',6'-Dihydroxy-3',5'-dimethyl-2'-methoxychalcone)

3D PDB for NP0078872 (4',6'-Dihydroxy-3',5'-dimethyl-2'-methoxychalcone)

SMILES for NP0078872 (4',6'-Dihydroxy-3',5'-dimethyl-2'-methoxychalcone)

INCHI for NP0078872 (4',6'-Dihydroxy-3',5'-dimethyl-2'-methoxychalcone)

Structure for NP0078872 (4',6'-Dihydroxy-3',5'-dimethyl-2'-methoxychalcone)

3D Structure for NP0078872 (4',6'-Dihydroxy-3',5'-dimethyl-2'-methoxychalcone)