NP-MRD: Showing NP-Card for 6-{5-[(4,6-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one (NP0195809)

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Record Information

Version

2.0

Created at

2022-09-04 13:44:42 UTC

Updated at

2022-09-04 13:44:42 UTC

NP-MRD ID

NP0195809

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6-{5-[(4,6-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one

Description

6-{5-[(4,6-Dihydroxy-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one belongs to the class of organic compounds known as flavanones. Flavanones are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3. 6-{5-[(4,6-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one is found in Campylopus clavatus. 6-{5-[(4,6-Dihydroxy-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171517572D          

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M  END

     RDKit          3D

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M  END


  Mrv1533004171517572D          

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    6.1067   -1.3335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8913   -1.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6058   -1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  4  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 11 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  2  0  0  0  0
 19 30  1  0  0  0  0
 30 31  1  0  0  0  0
 25 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 32 39  1  0  0  0  0
  9 40  1  0  0  0  0
 40 41  1  0  0  0  0
  6 41  1  0  0  0  0
 41 42  2  0  0  0  0
  2 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0195809

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=CC(O)=C2C(=O)C(OC2=C1)=CC1=CC(O)=C(O)C(=C1)C1=C(O)C=C2OC(CC(=O)C2=C1O)C1=CC=C(O)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C30H20O12/c31-13-7-17(34)26-22(8-13)42-24(29(26)39)5-11-3-14(28(38)20(37)4-11)25-18(35)10-23-27(30(25)40)19(36)9-21(41-23)12-1-2-15(32)16(33)6-12/h1-8,10,21,31-35,37-38,40H,9H2

> <INCHI_KEY>
RMZGHKUKGHAYHG-UHFFFAOYSA-N

> <FORMULA>
C30H20O12

> <MOLECULAR_WEIGHT>
572.478

> <EXACT_MASS>
572.095476084

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
62

> <JCHEM_AVERAGE_POLARIZABILITY>
56.616455263397974

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-{5-[(4,6-dihydroxy-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one

> <ALOGPS_LOGP>
3.83

> <JCHEM_LOGP>
4.843535304333333

> <ALOGPS_LOGS>
-4.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.778823172487359

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.22286795846351

> <JCHEM_PKA_STRONGEST_BASIC>
-5.177011524763608

> <JCHEM_POLAR_SURFACE_AREA>
214.43999999999997

> <JCHEM_REFRACTIVITY>
147.31879999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.54e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-{5-[(4,6-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  O   UNK     0      16.865  -2.195   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      15.531  -2.965   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      15.531  -4.505   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      14.197  -5.275   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      14.197  -6.815   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      12.864  -4.505   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      11.399  -4.981   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      10.923  -6.446   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      10.494  -3.735   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.954  -3.735   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.184  -5.069   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.954  -6.402   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.184  -7.736   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       8.954  -9.070   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       6.644  -7.736   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       5.874  -9.070   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       5.874  -6.402   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.644  -5.069   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.334  -6.402   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.564  -7.736   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       4.334  -9.070   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       2.024  -7.736   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.254  -6.402   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -0.286  -6.402   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -1.056  -5.069   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.286  -3.735   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.254  -3.735   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       2.024  -2.401   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       2.024  -5.069   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.564  -5.069   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       4.334  -3.735   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -2.596  -5.069   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -3.366  -6.402   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -4.906  -6.402   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -5.676  -5.069   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -7.216  -5.069   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -4.906  -3.735   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -5.676  -2.401   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      -3.366  -3.735   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      11.399  -2.489   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      12.864  -2.965   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      14.197  -2.195   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   42                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   41                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   40                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   18                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17   11                                                       
CONECT   19   17   20   30                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24   29                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   32                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   23   30                                                  
CONECT   30   29   19   31                                                  
CONECT   31   30                                                            
CONECT   32   25   33   39                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   32                                                       
CONECT   40    9   41                                                       
CONECT   41   40    6   42                                                  
CONECT   42   41    2                                                       
MASTER        0    0    0    0    0    0    0    0   42    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₂₀O₁₂

Average Mass

572.4780 Da

Monoisotopic Mass

572.09548 Da

IUPAC Name

6-{5-[(4,6-dihydroxy-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one

Traditional Name

6-{5-[(4,6-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one

CAS Registry Number

Not Available

SMILES

OC1=CC(O)=C2C(=O)C(OC2=C1)=CC1=CC(O)=C(O)C(=C1)C1=C(O)C=C2OC(CC(=O)C2=C1O)C1=CC=C(O)C(O)=C1

InChI Identifier

InChI=1S/C30H20O12/c31-13-7-17(34)26-22(8-13)42-24(29(26)39)5-11-3-14(28(38)20(37)4-11)25-18(35)10-23-27(30(25)40)19(36)9-21(41-23)12-1-2-15(32)16(33)6-12/h1-8,10,21,31-35,37-38,40H,9H2

InChI Key

RMZGHKUKGHAYHG-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Campylopus clavatus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavanones. Flavanones are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

Flavanones

Alternative Parents

Substituents

3'-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Aurone
Flavanone
Hydroxyflavonoid
Biphenol
Chromone
Chromane
Benzopyran
1-benzopyran
Coumaran
Benzofuran
Aryl ketone
Aryl alkyl ketone
Catechol
Phenol
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Monocyclic benzene moiety
Vinylogous acid
Ketone
Oxacycle
Organoheterocyclic compound
Ether
Organooxygen compound
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

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	3.83	ALOGPS
logP	4.84	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	7.22	ChemAxon
pKa (Strongest Basic)	-5.2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	214.44 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	147.32 m³·mol⁻¹	ChemAxon
Polarizability	56.62 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6-{5-[(4,6-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one (NP0195809)

MOL for NP0195809 (6-{5-[(4,6-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one)

3D MOL for NP0195809 (6-{5-[(4,6-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one)

3D SDF for NP0195809 (6-{5-[(4,6-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one)

3D-SDF for NP0195809 (6-{5-[(4,6-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one)

PDB for NP0195809 (6-{5-[(4,6-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one)

3D PDB for NP0195809 (6-{5-[(4,6-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one)

SMILES for NP0195809 (6-{5-[(4,6-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one)

INCHI for NP0195809 (6-{5-[(4,6-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one)

Structure for NP0195809 (6-{5-[(4,6-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one)

3D Structure for NP0195809 (6-{5-[(4,6-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-1-benzopyran-4-one)