NP-MRD: Showing NP-Card for 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one (NP0052296)

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Record Information

Version

2.0

Created at

2022-04-27 23:24:01 UTC

Updated at

2022-04-27 23:24:01 UTC

NP-MRD ID

NP0052296

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one

Description

Demethoxysudachitin belongs to the class of organic compounds known as 8-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone. Thus, demethoxysudachitin is considered to be a flavonoid lipid molecule. Demethoxysudachitin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, Demethoxysudachitin has been detected, but not quantified in, citrus and herbs and spices. 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one is found in Ambrosia deltoidea, Ambrosia trifida, Baccharis neaei, Biebersteinia orphanidis, Centaurea spinosa, Cheilanthes argentea, Citrus medica, Citrus sudachi , Gardenia lucida, Gardenia resinifera, Hymenoxys scaposa, Lysionotus denticulosus, Madia capitata, Mentha piperita, Mentha piperita , Ononis natrix , Scutellaria repens and Wilkesia hobdyi. This could make demethoxysudachitin a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 38 40  0  0  0  0  0  0  0  0999 V2000
   -5.7052   -0.8508   -0.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8712   -0.6137    0.2557 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5154   -0.3296    0.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0160    0.9302    0.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9217    2.0099    0.0361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6629    1.1285   -0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1901    2.4368   -0.1321 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8878    3.1782    1.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7609    0.0767   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5268    0.2913   -0.0808 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3867   -0.7163   -0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8110   -0.3965   -0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7951   -1.3301   -0.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1342   -0.9475   -0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4899    0.3818   -0.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8155    0.7831   -0.4361 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4861    1.3323   -0.3521 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1622    0.9551   -0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9733   -2.0112    0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3839   -2.2886    0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7190   -3.4847    0.2291 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2645   -1.2281    0.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6281   -1.4369    0.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1578   -2.6847    0.3024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7078   -0.4135   -0.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2827   -0.4883   -1.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8695   -1.9627   -0.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5942    2.9578   -0.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0064    3.8201    0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6942    2.4316    1.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7194    3.8450    1.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6083   -2.3840   -0.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9127   -1.7032   -0.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2941    0.9724    0.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7922    2.3646   -0.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4215    1.7427   -0.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7075   -2.8198    0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7716   -3.5482    0.3387 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
  7  8  1  0
  6  9  2  0
  9 10  1  0
 10 11  1  0
 11 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 23  3  1  0
 18 12  1  0
 22  9  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  5 28  1  0
  8 29  1  0
  8 30  1  0
  8 31  1  0
 19 37  1  0
 24 38  1  0
 13 32  1  0
 14 33  1  0
 16 34  1  0
 17 35  1  0
 18 36  1  0
M  END


  Mrv0541 05061305262D          

 24 26  0  0  0  0            999 V2000
    2.8579    0.0000    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    2.0625    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
   -2.8579    2.4750    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
   -1.4289    0.0000    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
   -3.5724    2.0625    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    0.8250    0.0000 C   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    0.8250    0.0000 C   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
    1.4289    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
   -4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   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
    2.1434   -0.4125    0.0000 O   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
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  8  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18  9  1  0  0  0  0
 19 10  2  0  0  0  0
 20 13  1  0  0  0  0
 21 14  1  0  0  0  0
 22  1  1  0  0  0  0
 22 16  1  0  0  0  0
 23  2  1  0  0  0  0
 23 17  1  0  0  0  0
 24 11  1  0  0  0  0
 24 15  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0052296

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O)C(OC)=C2OC(=CC(=O)C2=C1O)C1=CC=C(O)C=C1

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

> <INCHI_KEY>
SYGUVOLSUJYPPS-UHFFFAOYSA-N

> <FORMULA>
C17H14O7

> <MOLECULAR_WEIGHT>
330.2889

> <EXACT_MASS>
330.073952802

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
32.43914689644968

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-chromen-4-one

> <ALOGPS_LOGP>
3.00

> <JCHEM_LOGP>
2.391346602333333

> <ALOGPS_LOGS>
-3.67

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.714840238670135

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.625585686093759

> <JCHEM_PKA_STRONGEST_BASIC>
-4.24048559951989

> <JCHEM_POLAR_SURFACE_AREA>
105.45000000000002

> <JCHEM_REFRACTIVITY>
85.8403

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.01e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
desmethoxysudachitin

> <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       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.001   3.850   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      -5.335   4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -6.668   3.850   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -8.002   4.620   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
CONECT    1   22                                                            
CONECT    2   23                                                            
CONECT    3    5    8                                                       
CONECT    4    6    8                                                       
CONECT    5    3    9                                                       
CONECT    6    4    9                                                       
CONECT    7   10   11                                                       
CONECT    8    3    4   11                                                  
CONECT    9    5    6   18                                                  
CONECT   10    7   12   19                                                  
CONECT   11    7    8   24                                                  
CONECT   12   10   13   15                                                  
CONECT   13   12   16   20                                                  
CONECT   14   16   17   21                                                  
CONECT   15   12   17   24                                                  
CONECT   16   13   14   22                                                  
CONECT   17   14   15   23                                                  
CONECT   18    9                                                            
CONECT   19   10                                                            
CONECT   20   13                                                            
CONECT   21   14                                                            
CONECT   22    1   16                                                       
CONECT   23    2   17                                                       
CONECT   24   11   15                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Value	Source
3'-Demethoxysudachitin	HMDB
4',5,7-Trihydroxy-6,8-dimethoxyflavone	HMDB
5,7,4'-Trihydroxy-6,8-dimethoxyflavone	HMDB
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one	HMDB
Desmethoxysudachin	HMDB
Desmethoxysudachitin	HMDB
Demethoxysudachitin	MeSH

Chemical Formula

C₁₇H₁₄O₇

Average Mass

330.2889 Da

Monoisotopic Mass

330.07395 Da

IUPAC Name

5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-chromen-4-one

Traditional Name

desmethoxysudachitin

CAS Registry Number

Not Available

SMILES

COC1=C(O)C(OC)=C2OC(=CC(=O)C2=C1O)C1=CC=C(O)C=C1

InChI Identifier

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

InChI Key

SYGUVOLSUJYPPS-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
Ambrosia deltoidea	Plant	KNApSAcK
Ambrosia trifida	Plant	KNApSAcK
Baccharis neaei	LOTUS Database	35616633
Biebersteinia orphanidis	Plant	KNApSAcK
Centaurea spinosa	LOTUS Database	35616633
Cheilanthes argentea	Plant	KNApSAcK
Citrus medica	LOTUS Database	35616633
Citrus sudachi	Plant	KNApSAcK
Gardenia lucida	Plant	KNApSAcK
Gardenia resinifera	LOTUS Database	35616633
Hymenoxys scaposa	Plant	KNApSAcK
Lysionotus denticulosus	LOTUS Database	35616633
Madia capitata	Plant	KNApSAcK
Mentha piperita	LOTUS Database	35616633
Mentha x piperita	Plant	KNApSAcK
Ononis natrix	Plant	KNApSAcK
Scutellaria repens	Plant	KNApSAcK
Wilkesia hobdyi	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 8-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

O-methylated flavonoids

Direct Parent

8-O-methylated flavonoids

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Flavones and Flavonols (LMPK12111444 )

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	ALOGPS
logP	2.39	ChemAxon
logS	-3.7	ALOGPS
pKa (Strongest Acidic)	6.63	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	-1	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	32.44 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

HMDB0030696

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB002617

KNApSAcK ID

C00003876

Chemspider ID

2340994

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

3083845

PDB ID

Not Available

ChEBI ID

589714

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one (NP0052296)

MOL for NP0052296 (5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one)

3D MOL for NP0052296 (5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one)

3D SDF for NP0052296 (5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one)

3D-SDF for NP0052296 (5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one)

PDB for NP0052296 (5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one)

3D PDB for NP0052296 (5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one)

SMILES for NP0052296 (5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one)

INCHI for NP0052296 (5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one)

Structure for NP0052296 (5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one)

3D Structure for NP0052296 (5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one)