NP-MRD: Showing NP-Card for 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one (NP0052301)

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Record Information

Version

2.0

Created at

2022-04-27 23:24:12 UTC

Updated at

2022-04-27 23:24:12 UTC

NP-MRD ID

NP0052301

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one

Description

Desmethoxycentaureidin belongs to the class of organic compounds known as 6-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone. Thus, desmethoxycentaureidin is considered to be a flavonoid lipid molecule. 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one is found in Achillea holosericea, Arnica longifolia, Arnica viscosa, Baccharis gaudichaudiana, Baccharis neaei, Brickellia baccharidea, Centaurea cineraria, Centaurea jacea, Centaurea nigrescens, Centaurea phrygia, Duranta plumieri , Haplopappus scrobiculatus, Peucephyllum schottii, Sideritis spp., Stachys aegyptiaca and Thymus satureioides. Desmethoxycentaureidin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 38 40  0  0  0  0  0  0  0  0999 V2000
   -7.0696    0.3126    0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9779    0.4023    0.8903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6492    0.2418    0.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2017   -0.0339   -0.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8324   -0.1817   -1.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9045   -0.0558   -0.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4714   -0.1997   -0.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0621   -0.4748   -1.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4184   -0.5996   -1.6402 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8608   -0.8478   -2.7716 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2569   -0.4515   -0.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247   -0.5605   -0.6361 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2275   -0.8322   -1.8316 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4514   -0.4008    0.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8130   -0.5259    0.3382 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6808    0.5320    0.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8458   -0.1285    1.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6050    0.0415    2.8531 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4778   -0.0132    1.7968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6724   -0.1724    0.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3755   -0.0680    0.7483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3444    0.2214    1.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6983    0.3655    1.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1088    0.6439    2.8252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9930   -0.0734    0.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8510   -0.2901   -0.8631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3447    1.3650   -0.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9332   -0.1352   -1.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5610   -0.3957   -2.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6205   -0.5914   -2.3375 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9952   -0.9905   -2.7399 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1165    1.2078   -0.6749 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5100    0.1045   -0.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0866    1.0631    0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1687    0.2420    3.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9920    0.2007    2.7338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5965    0.3199    2.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0829    0.7586    3.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3 23  2  0
 23 24  1  0
 23 22  1  0
 22  6  2  0
  6  5  1  0
  5  4  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 20  2  0
 20 21  1  0
 20 19  1  0
 19 17  2  0
 17 18  1  0
 17 14  1  0
 14 15  1  0
 15 16  1  0
 14 12  2  0
 12 13  1  0
  4  3  1  0
 21  7  1  0
 12 11  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
 24 38  1  0
 22 37  1  0
  5 29  1  0
  4 28  1  0
  8 30  1  0
 19 36  1  0
 18 35  1  0
 16 32  1  0
 16 33  1  0
 16 34  1  0
 13 31  1  0
M  END


  Mrv1652310051713342D          

 24 26  0  0  0  0            999 V2000
   -3.5724   -1.2375    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
   -2.1434    1.2375    0.0000 C   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
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   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
   -1.4289    0.8250    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
    0.0000    2.4750    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   -0.0000    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    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   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
    2.1434    2.0625    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
    0.0000    3.3000    0.0000 O   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
    1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 O   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
   -0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  8  3  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12  4  1  0  0  0  0
 12  9  2  0  0  0  0
 13  6  2  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 11  1  0  0  0  0
 17 16  2  0  0  0  0
 18  9  1  0  0  0  0
 19 10  2  0  0  0  0
 20 11  1  0  0  0  0
 21 16  1  0  0  0  0
 22  1  1  0  0  0  0
 22 12  1  0  0  0  0
 23  2  1  0  0  0  0
 23 17  1  0  0  0  0
 24 13  1  0  0  0  0
 24 14  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0052301

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C(OC)=C2O

> <INCHI_IDENTIFIER>
InChI=1S/C17H14O7/c1-22-12-4-3-8(5-9(12)18)13-6-10(19)15-14(24-13)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3

> <INCHI_KEY>
VCWFILUULGOFCD-UHFFFAOYSA-N

> <FORMULA>
C17H14O7

> <MOLECULAR_WEIGHT>
330.292

> <EXACT_MASS>
330.073952791

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
32.785443084025914

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-chromen-4-one

> <ALOGPS_LOGP>
3.05

> <JCHEM_LOGP>
2.391346602333333

> <ALOGPS_LOGS>
-3.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.628587920829947

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.099702748409074

> <JCHEM_PKA_STRONGEST_BASIC>
-4.551542096889165

> <JCHEM_POLAR_SURFACE_AREA>
105.45000000000002

> <JCHEM_REFRACTIVITY>
85.8403

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.42e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
desmethoxycentaureidin

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-OCT-17   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-OCT-17         0                                  
HETATM    1  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       0.000   6.160   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       2.667   6.160   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       5.335   4.620   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -0.000   1.540   0.000  0.00  0.00           O+0
CONECT    1   22                                                            
CONECT    2   23                                                            
CONECT    3    4    8                                                       
CONECT    4    3   12                                                       
CONECT    5    8    9                                                       
CONECT    6   10   13                                                       
CONECT    7   11   14                                                       
CONECT    8    3    5   13                                                  
CONECT    9    5   12   18                                                  
CONECT   10    6   15   19                                                  
CONECT   11    7   17   20                                                  
CONECT   12    4    9   22                                                  
CONECT   13    6    8   24                                                  
CONECT   14    7   15   24                                                  
CONECT   15   10   14   16                                                  
CONECT   16   15   17   21                                                  
CONECT   17   11   16   23                                                  
CONECT   18    9                                                            
CONECT   19   10                                                            
CONECT   20   11                                                            
CONECT   21   16                                                            
CONECT   22    1   12                                                       
CONECT   23    2   17                                                       
CONECT   24   13   14                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₇H₁₄O₇

Average Mass

330.2920 Da

Monoisotopic Mass

330.07395 Da

IUPAC Name

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-chromen-4-one

Traditional Name

desmethoxycentaureidin

CAS Registry Number

Not Available

SMILES

COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C(OC)=C2O

InChI Identifier

InChI=1S/C17H14O7/c1-22-12-4-3-8(5-9(12)18)13-6-10(19)15-14(24-13)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3

InChI Key

VCWFILUULGOFCD-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
Achillea holosericea	LOTUS Database	35616633
Arnica longifolia	Plant	KNApSAcK
Arnica viscosa	LOTUS Database	35616633
Baccharis gaudichaudiana	Plant	KNApSAcK
Baccharis neaei	LOTUS Database	35616633
Brickellia baccharidea	LOTUS Database	35616633
Centaurea cineraria	LOTUS Database	35616633
Centaurea jacea	LOTUS Database	35616633
Centaurea nigrescens	Plant	KNApSAcK
Centaurea phrygia	Plant	KNApSAcK
Duranta plumieri	Plant	KNApSAcK
Haplopappus scrobiculatus	Plant	KNApSAcK
Peucephyllum schottii	LOTUS Database	35616633
Sideritis spp.	Plant	KNApSAcK
Stachys aegyptiaca	LOTUS Database	35616633
Thymus satureioides	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 6-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

O-methylated flavonoids

Direct Parent

6-O-methylated flavonoids

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Flavones and Flavonols (LMPK12111236 )

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	3.05	ALOGPS
logP	2.39	ChemAxon
logS	-3.7	ALOGPS
pKa (Strongest Acidic)	7.1	ChemAxon
pKa (Strongest Basic)	-4.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	105.45 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	85.84 m³·mol⁻¹	ChemAxon
Polarizability	32.79 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

HMDB0150813

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

5469524

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one (NP0052301)

MOL for NP0052301 (5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one)

3D MOL for NP0052301 (5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one)

3D SDF for NP0052301 (5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one)

3D-SDF for NP0052301 (5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one)

PDB for NP0052301 (5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one)

3D PDB for NP0052301 (5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one)

SMILES for NP0052301 (5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one)

INCHI for NP0052301 (5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one)

Structure for NP0052301 (5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one)

3D Structure for NP0052301 (5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one)