NP-MRD: Showing NP-Card for 2-(3,4-dihydroxyphenyl)-5-[(2r,3r,4s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]-3,7,8-trihydroxychromen-4-one (NP0158467)

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Record Information

Version

2.0

Created at

2022-09-02 16:03:34 UTC

Updated at

2022-09-02 16:03:34 UTC

NP-MRD ID

NP0158467

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-(3,4-dihydroxyphenyl)-5-[(2r,3r,4s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]-3,7,8-trihydroxychromen-4-one

Description

2-(3,4-Dihydroxyphenyl)-5-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,7,8-trihydroxy-4H-chromen-4-one belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. 2-(3,4-dihydroxyphenyl)-5-[(2r,3r,4s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]-3,7,8-trihydroxychromen-4-one is found in Senegalia nigrescens. Based on a literature review very few articles have been published on 2-(3,4-dihydroxyphenyl)-5-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,7,8-trihydroxy-4H-chromen-4-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022218032D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309022218032D          

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   -0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1060   -5.4487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  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  2  0  0  0  0
  9 10  1  0  0  0  0
  9 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
  5 14  1  0  0  0  0
 14 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  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 23 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  6  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 33 40  1  0  0  0  0
 32 41  1  0  0  0  0
 22 41  1  0  0  0  0
 41 42  1  6  0  0  0
 21 43  2  0  0  0  0
  2 43  1  0  0  0  0
 15 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0158467

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@H]1[C@H](OC2=C(O)C(O)=CC=C2[C@@H]1C1=C2C(=O)C(O)=C(OC2=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C30H22O13/c31-14-4-1-10(7-17(14)34)27-25(40)20(12-3-6-16(33)22(37)29(12)42-27)13-9-19(36)23(38)30-21(13)24(39)26(41)28(43-30)11-2-5-15(32)18(35)8-11/h1-9,20,25,27,31-38,40-41H/t20-,25-,27-/m1/s1

> <INCHI_KEY>
SNWMGMCMXATNDA-CMTYHFORSA-N

> <FORMULA>
C30H22O13

> <MOLECULAR_WEIGHT>
590.493

> <EXACT_MASS>
590.106040768

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
57.963424688547036

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(3,4-dihydroxyphenyl)-5-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,7,8-trihydroxy-4H-chromen-4-one

> <ALOGPS_LOGP>
3.04

> <JCHEM_LOGP>
2.8269374623333334

> <ALOGPS_LOGS>
-3.88

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.373715189449877

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.503846747420069

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9098234108291043

> <JCHEM_POLAR_SURFACE_AREA>
237.82999999999996

> <JCHEM_REFRACTIVITY>
149.37050000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.82e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(3,4-dihydroxyphenyl)-5-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,7,8-trihydroxychromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  O   UNK     0       0.000  -9.240   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -2.667  -7.700   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.334  -5.390   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  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.668 -10.010   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.668 -11.550   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       8.002 -12.320   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       5.335 -12.320   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       5.335 -13.860   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       2.667 -12.320   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.000 -12.320   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       0.000 -13.860   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -1.334 -14.630   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -2.667 -13.860   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -4.001 -14.630   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      -2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -4.001 -11.550   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      -1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      -0.198 -10.171   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   43                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   14                                                  
CONECT    6    5    7   13                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11    6                                                       
CONECT   14    5   15                                                       
CONECT   15   14   16   43                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   43                                                  
CONECT   22   21   23   41                                                  
CONECT   23   22   24   30                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   23   31                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   41                                                  
CONECT   33   32   34   40                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   33                                                       
CONECT   41   32   22   42                                                  
CONECT   42   41                                                            
CONECT   43   21    2   15                                                  
MASTER        0    0    0    0    0    0    0    0   43    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₂₂O₁₃

Average Mass

590.4930 Da

Monoisotopic Mass

590.10604 Da

IUPAC Name

2-(3,4-dihydroxyphenyl)-5-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,7,8-trihydroxy-4H-chromen-4-one

Traditional Name

2-(3,4-dihydroxyphenyl)-5-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,7,8-trihydroxychromen-4-one

CAS Registry Number

Not Available

SMILES

O[C@H]1[C@H](OC2=C(O)C(O)=CC=C2[C@@H]1C1=C2C(=O)C(O)=C(OC2=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1)C1=CC=C(O)C(O)=C1

InChI Identifier

InChI=1S/C30H22O13/c31-14-4-1-10(7-17(14)34)27-25(40)20(12-3-6-16(33)22(37)29(12)42-27)13-9-19(36)23(38)30-21(13)24(39)26(41)28(43-30)11-2-5-15(32)18(35)8-11/h1-9,20,25,27,31-38,40-41H/t20-,25-,27-/m1/s1

InChI Key

SNWMGMCMXATNDA-CMTYHFORSA-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
Senegalia nigrescens	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavones

Direct Parent

Flavonols

Alternative Parents

Substituents

3-hydroxyflavone
3'-hydroxyflavonoid
3-hydroxyflavonoid
4'-hydroxyflavonoid
7-hydroxyflavonoid
8-hydroxyflavonoid
Hydroxyflavonoid
Flavan-3-ol
Flavan
Chromone
Chromane
1-benzopyran
Benzopyran
Catechol
1-hydroxy-2-unsubstituted benzenoid
Phenol
1-hydroxy-4-unsubstituted benzenoid
Pyranone
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Pyran
Heteroaromatic compound
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Polyol
Ether
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
Organooxygen compound
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	3.04	ALOGPS
logP	2.83	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Acidic)	6.5	ChemAxon
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	237.83 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	149.37 m³·mol⁻¹	ChemAxon
Polarizability	57.96 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

9116173

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10940940

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-(3,4-dihydroxyphenyl)-5-[(2r,3r,4s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]-3,7,8-trihydroxychromen-4-one (NP0158467)

MOL for NP0158467 (2-(3,4-dihydroxyphenyl)-5-[(2r,3r,4s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]-3,7,8-trihydroxychromen-4-one)

3D MOL for NP0158467 (2-(3,4-dihydroxyphenyl)-5-[(2r,3r,4s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]-3,7,8-trihydroxychromen-4-one)

3D SDF for NP0158467 (2-(3,4-dihydroxyphenyl)-5-[(2r,3r,4s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]-3,7,8-trihydroxychromen-4-one)

3D-SDF for NP0158467 (2-(3,4-dihydroxyphenyl)-5-[(2r,3r,4s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]-3,7,8-trihydroxychromen-4-one)

PDB for NP0158467 (2-(3,4-dihydroxyphenyl)-5-[(2r,3r,4s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]-3,7,8-trihydroxychromen-4-one)

3D PDB for NP0158467 (2-(3,4-dihydroxyphenyl)-5-[(2r,3r,4s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]-3,7,8-trihydroxychromen-4-one)

SMILES for NP0158467 (2-(3,4-dihydroxyphenyl)-5-[(2r,3r,4s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]-3,7,8-trihydroxychromen-4-one)

INCHI for NP0158467 (2-(3,4-dihydroxyphenyl)-5-[(2r,3r,4s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]-3,7,8-trihydroxychromen-4-one)

Structure for NP0158467 (2-(3,4-dihydroxyphenyl)-5-[(2r,3r,4s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]-3,7,8-trihydroxychromen-4-one)

3D Structure for NP0158467 (2-(3,4-dihydroxyphenyl)-5-[(2r,3r,4s)-2-(3,4-dihydroxyphenyl)-3,7,8-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]-3,7,8-trihydroxychromen-4-one)