NP-MRD: Showing NP-Card for Myricetin 3,4'-dimethyl ether (NP0053018)

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Record Information

Version

2.0

Created at

2022-04-27 23:50:59 UTC

Updated at

2022-04-27 23:50:59 UTC

NP-MRD ID

NP0053018

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Myricetin 3,4'-dimethyl ether

Description

5,7,3',5'-Tetrahydroxy-3,4'-dimethyoxyflavone, also known as 3,4'-O-dimethylmyricetin or myricetin 3,4'-dimethyl ether, belongs to the class of organic compounds known as 4'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C4' atom of the flavonoid backbone. Thus, 5,7,3',5'-tetrahydroxy-3,4'-dimethyoxyflavone is considered to be a flavonoid lipid molecule. Myricetin 3,4'-dimethyl ether is found in Alluaudia ascendens, Decaryia madagascariensis, Goniothalamus thwaitesii, Gutierrezia grandis and Gutierrezia texana. 5,7,3',5'-Tetrahydroxy-3,4'-dimethyoxyflavone is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 41  0  0  0  0  0  0  0  0999 V2000
    5.9906    0.8280   -0.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1104    1.0709    0.3859 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7457    0.7431    0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8021    1.6287   -0.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2570    2.8900   -0.5500 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4637    1.3096   -0.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0095    0.0788    0.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4162   -0.1880    0.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2047    0.8884    0.0674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4913    0.8630    0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2568    2.0184   -0.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6331    1.9788   -0.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3552    3.1727   -0.4037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2919    0.7750   -0.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5490   -0.3720    0.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1504   -1.6148    0.2613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1523   -0.3261    0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4055   -1.4687    0.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9537   -2.5817    0.4762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0023   -1.4099    0.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2661   -2.5536    0.5619 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1353   -3.3748   -0.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9328   -0.8078    0.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2955   -0.4786    0.7652 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2373   -1.4052    1.2421 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686   -0.0113   -0.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6142    1.7396   -0.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4443    0.5811   -1.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2268    3.1388   -0.5266 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7602    2.0717   -0.5415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7227    2.9348   -0.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6420    3.7119    0.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3864    0.7278   -0.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1597   -1.6537    0.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2030   -3.6204   -0.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0143   -2.8738   -1.5031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4266   -4.3312   -0.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6933   -1.7787    1.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8897   -2.3008    1.5477 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  2  0
  7 23  1  0
 23 24  2  0
 24 25  1  0
  7  8  1  0
  8 20  2  0
 20 21  1  0
 21 22  1  0
 20 18  1  0
 18 19  2  0
 18 17  1  0
 17 15  2  0
 15 16  1  0
 15 14  1  0
 14 12  2  0
 12 13  1  0
 12 11  1  0
 11 10  2  0
 10  9  1  0
 24  3  1  0
  9  8  1  0
 10 17  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  5 29  1  0
  6 30  1  0
 23 38  1  0
 25 39  1  0
 22 35  1  0
 22 36  1  0
 22 37  1  0
 16 34  1  0
 14 33  1  0
 13 32  1  0
 11 31  1  0
M  END


  Mrv1533004241507512D          

 25 27  0  0  0  0            999 V2000
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   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
    1.4289    0.0000    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
    2.8579    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
    4.2868   -0.0000    0.0000 O   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
    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 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
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   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
   -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 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    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    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  2  0  0  0  0
  4 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 16 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0053018

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O)C=C(C=C1O)C1=C(OC)C(=O)C2=C(O)C=C(O)C=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C17H14O8/c1-23-16-10(20)3-7(4-11(16)21)15-17(24-2)14(22)13-9(19)5-8(18)6-12(13)25-15/h3-6,18-21H,1-2H3

> <INCHI_KEY>
MVJHAGLBHWPKLS-UHFFFAOYSA-N

> <FORMULA>
C17H14O8

> <MOLECULAR_WEIGHT>
346.291

> <EXACT_MASS>
346.068867411

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
33.55557683845581

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-methoxy-4H-chromen-4-one

> <ALOGPS_LOGP>
2.65

> <JCHEM_LOGP>
2.1114555876666667

> <ALOGPS_LOGS>
-3.51

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.955116393304094

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.380353138166654

> <JCHEM_PKA_STRONGEST_BASIC>
-4.617102855760615

> <JCHEM_POLAR_SURFACE_AREA>
125.68000000000002

> <JCHEM_REFRACTIVITY>
88.07659999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.06e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
myricetin 3,4'-dimethyl ether

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.334  -2.310   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  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       8.002  -0.000   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       6.668  -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  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       0.000   0.000   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      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   14                                                  
CONECT    4    3    5   16                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   13                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11    6   14                                                  
CONECT   14   13    3   15                                                  
CONECT   15   14                                                            
CONECT   16    4   17   25                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   23                                                  
CONECT   21   20   22                                                       
CONECT   22   21                                                            
CONECT   23   20   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   16                                                       
MASTER        0    0    0    0    0    0    0    0   25    0   54    0
END

View in JSmol

Synonyms

Value	Source
3,4'-O-Dimethylmyricetin	ChEBI
Myricetin 3,4'-dimethyl ether	ChEBI

Chemical Formula

C₁₇H₁₄O₈

Average Mass

346.2910 Da

Monoisotopic Mass

346.06887 Da

IUPAC Name

2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-methoxy-4H-chromen-4-one

Traditional Name

myricetin 3,4'-dimethyl ether

CAS Registry Number

Not Available

SMILES

COC1=C(O)C=C(C=C1O)C1=C(OC)C(=O)C2=C(O)C=C(O)C=C2O1

InChI Identifier

InChI=1S/C17H14O8/c1-23-16-10(20)3-7(4-11(16)21)15-17(24-2)14(22)13-9(19)5-8(18)6-12(13)25-15/h3-6,18-21H,1-2H3

InChI Key

MVJHAGLBHWPKLS-UHFFFAOYSA-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
Alluaudia ascendens	Plant	KNApSAcK
Decaryia madagascariensis	Plant	KNApSAcK
Goniothalamus thwaitesii	LOTUS Database	35616633
Gutierrezia grandis	Plant	KNApSAcK
Gutierrezia texana	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 4'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C4' atom of the flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

O-methylated flavonoids

Direct Parent

4'-O-methylated flavonoids

Alternative Parents

Substituents

4p-methoxyflavonoid-skeleton
3-methoxyflavonoid-skeleton
Hydroxyflavonoid
Flavone
7-hydroxyflavonoid
5-hydroxyflavonoid
3'-hydroxyflavonoid
3-methoxychromone
Chromone
Benzopyran
Methoxyphenol
1-benzopyran
Anisole
Methoxybenzene
Resorcinol
Phenoxy compound
Phenol ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Pyranone
Phenol
Monocyclic benzene moiety
Benzenoid
Pyran
Vinylogous acid
Heteroaromatic compound
Ether
Organoheterocyclic compound
Oxacycle
Organic oxygen compound
Organooxygen compound
Organic oxide
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

tetrahydroxyflavone (CHEBI:70004 )
dimethoxyflavone (CHEBI:70004 )
Flavones and Flavonols (LMPK12112789 )

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	2.65	ALOGPS
logP	2.11	ChemAxon
logS	-3.5	ALOGPS
pKa (Strongest Acidic)	6.38	ChemAxon
pKa (Strongest Basic)	-4.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	125.68 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	88.08 m³·mol⁻¹	ChemAxon
Polarizability	33.56 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

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

70004

Good Scents ID

Not Available

References

General References

Showing NP-Card for Myricetin 3,4'-dimethyl ether (NP0053018)

MOL for NP0053018 (Myricetin 3,4'-dimethyl ether)

3D MOL for NP0053018 (Myricetin 3,4'-dimethyl ether)

3D SDF for NP0053018 (Myricetin 3,4'-dimethyl ether)

3D-SDF for NP0053018 (Myricetin 3,4'-dimethyl ether)

PDB for NP0053018 (Myricetin 3,4'-dimethyl ether)

3D PDB for NP0053018 (Myricetin 3,4'-dimethyl ether)

SMILES for NP0053018 (Myricetin 3,4'-dimethyl ether)

INCHI for NP0053018 (Myricetin 3,4'-dimethyl ether)

Structure for NP0053018 (Myricetin 3,4'-dimethyl ether)

3D Structure for NP0053018 (Myricetin 3,4'-dimethyl ether)