NP-MRD: Showing NP-Card for 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one (NP0052290)

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Record Information

Version

2.0

Created at

2022-04-27 23:23:50 UTC

Updated at

2022-04-27 23:23:50 UTC

NP-MRD ID

NP0052290

Secondary Accession Numbers

NP0138283

Natural Product Identification

Common Name

2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one

Description

Luteolin 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, luteolin 3',4'-dimethyl ether is considered to be a flavonoid lipid molecule. 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one is found in Artemisia frigida, Artemisia ludoviciana, Asarina barclaiana, Calea ternifolia, Chrysothamnus nauseosus, Chrysothamnus viscidiflorus, Eremanthus arboreus, Ageratina altissima, Marrubium velutinum, Monoclea forsteri, Monoclea gottschei, Ononis vaginalis, Rhynchosia beddomei, Salvia nicolsoniana and Striga asiatica . Luteolin 3',4'-dimethyl ether is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 37 39  0  0  0  0  0  0  0  0999 V2000
   -5.5612   -1.9000   -0.9762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9918   -0.7066   -0.5312 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6529   -0.4624   -0.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7408   -1.4549   -0.6623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3813   -1.2804   -0.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9498   -0.0380   -0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4974    0.1775    0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0465    1.3591    0.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4188    1.5447    0.6652 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8870    2.6329    1.0679 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2493    0.5114    0.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6227    0.5827    0.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2532    1.7096    0.8807 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3993   -0.5297    0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8343   -1.6935   -0.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6124   -2.8149   -0.6649 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4791   -1.7399   -0.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6585   -0.6611   -0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3564   -0.7711   -0.1956 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8560    0.9513    0.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2348    0.7661    0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1094    1.7975    0.3848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6019    3.0330    0.8409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5737   -1.7625   -1.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5227   -2.6721   -0.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9194   -2.2852   -1.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0532   -2.4378   -1.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6481   -2.0449   -0.7477 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4097    2.1937    0.7773 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0181    2.5830    1.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4798   -0.4419    0.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6097   -2.7778   -0.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -2.6493   -0.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5561    1.9337    0.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1413    2.9188    1.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4752    3.7228    0.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8670    3.4700    0.1157 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 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  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
 12 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 21  3  1  0
 19  7  1  0
 18 11  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  5 28  1  0
 20 34  1  0
 23 35  1  0
 23 36  1  0
 23 37  1  0
  8 29  1  0
 13 30  1  0
 14 31  1  0
 16 32  1  0
 17 33  1  0
M  END


  Mrv1533004191515012D          

 23 25  0  0  0  0            999 V2000
   -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 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    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
   -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
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    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
    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
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   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 O   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
    2.1434   -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
  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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 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
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0052290

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(C=C1OC)C1=CC(=O)C2=C(O)C=C(O)C=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C17H14O6/c1-21-13-4-3-9(5-15(13)22-2)14-8-12(20)17-11(19)6-10(18)7-16(17)23-14/h3-8,18-19H,1-2H3

> <INCHI_KEY>
AOLOMULCAJQEIG-UHFFFAOYSA-N

> <FORMULA>
C17H14O6

> <MOLECULAR_WEIGHT>
314.293

> <EXACT_MASS>
314.079038171

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
31.87608601812436

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
3.26

> <JCHEM_LOGP>
2.6949119239999995

> <ALOGPS_LOGS>
-3.88

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.180412847295395

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.57774463099757

> <JCHEM_PKA_STRONGEST_BASIC>
-4.532190732824394

> <JCHEM_POLAR_SURFACE_AREA>
85.22000000000001

> <JCHEM_REFRACTIVITY>
83.85940000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.13e-02 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667  -3.080   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       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       5.335  -3.080   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
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   11                                                  
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11    6   12   23                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   22                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   15   23                                                  
CONECT   23   22   11                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₇H₁₄O₆

Average Mass

314.2930 Da

Monoisotopic Mass

314.07904 Da

IUPAC Name

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

Traditional Name

luteolin 3',4'-dimethyl ether

CAS Registry Number

Not Available

SMILES

COC1=CC=C(C=C1OC)C1=CC(=O)C2=C(O)C=C(O)C=C2O1

InChI Identifier

InChI=1S/C17H14O6/c1-21-13-4-3-9(5-15(13)22-2)14-8-12(20)17-11(19)6-10(18)7-16(17)23-14/h3-8,18-19H,1-2H3

InChI Key

AOLOMULCAJQEIG-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
Artemisia frigida	LOTUS Database	35616633
Artemisia ludoviciana	LOTUS Database	35616633
Asarina barclaiana	Plant	KNApSAcK
Calea ternifolia	Plant	KNApSAcK
Chrysothamnus nauseosus	Plant	KNApSAcK
Chrysothamnus viscidiflorus	Plant	KNApSAcK
Eremanthus arboreus	Plant	KNApSAcK
Eupatorium rugosum	LOTUS Database	35616633
Marrubium velutinum	LOTUS Database	35616633
Monoclea forsteri	Plant	KNApSAcK
Monoclea gottschei	Plant	KNApSAcK
Ononis vaginalis	Plant	KNApSAcK
Rhynchosia beddomei	Plant	KNApSAcK
Salvia nicolsoniana	Plant	KNApSAcK
Striga asiatica	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

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Flavones and Flavonols (LMPK12110831 )

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	3.26	ALOGPS
logP	2.69	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Acidic)	6.58	ChemAxon
pKa (Strongest Basic)	-4.5	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	85.22 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	83.86 m³·mol⁻¹	ChemAxon
Polarizability	31.88 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

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DrugBank ID

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Phenol Explorer Compound ID

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FoodDB ID

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KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

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BioCyc ID

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BiGG ID

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Wikipedia Link

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METLIN ID

Not Available

PubChem Compound

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PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

Not Available

Showing NP-Card for 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one (NP0052290)

MOL for NP0052290 (2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one)

3D MOL for NP0052290 (2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one)

3D SDF for NP0052290 (2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one)

3D-SDF for NP0052290 (2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one)

PDB for NP0052290 (2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one)

3D PDB for NP0052290 (2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one)

SMILES for NP0052290 (2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one)

INCHI for NP0052290 (2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one)

Structure for NP0052290 (2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one)

3D Structure for NP0052290 (2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one)