NP-MRD: Showing NP-Card for 6,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']-2-arylbenzofuran (NP0062845)

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Record Information

Version

2.0

Created at

2022-04-28 07:23:37 UTC

Updated at

2022-04-28 07:23:37 UTC

NP-MRD ID

NP0062845

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']-2-arylbenzofuran

Description

Glyinflanin H, also known as glabrocoumarone b, belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. Glyinflanin H is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Glyinflanin H has been detected, but not quantified in, herbs and spices and tea. This could make glyinflanin H a potential biomarker for the consumption of these foods. 6,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']-2-arylbenzofuran is found in Erythrina addisoniae, Glycyrrhiza glabra and Glycyrrhiza inflata . A chromenol that is 2,2-dimethyl-2H-chromen-5-ol substituted by a 6-hydroxy-1-benzofuran-2-yl group at position 6.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 42  0  0  0  0  0  0  0  0999 V2000
    5.4529    0.3657   -1.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5581    0.0439    0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4987   -0.3145    1.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9231    1.3145    0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6177    1.4413    0.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7564    0.3106    0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3168   -0.9156   -0.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4954   -1.9818   -0.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1228   -1.8630   -0.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4509   -0.6876   -0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9184   -0.5150   -0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8821   -1.4505   -0.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1133   -0.8620   -0.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4264   -1.2613   -0.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4818   -0.3995    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2191    0.9007    0.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2798    1.7723    0.6712 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9073    1.2955    0.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8547    0.4404    0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5379    0.5878    0.2730 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    0.3895    0.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2353    1.5582    0.5287 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6837   -0.9973   -0.2584 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8382    0.4504   -2.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8933    1.3665   -0.9932 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2804   -0.3416   -1.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0890    0.0087    2.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363    0.2698    1.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7474   -1.3900    1.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5323    2.2006    0.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1738    2.3977    0.7451 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9305   -2.9440   -0.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4962   -2.7342   -0.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7044   -2.4677   -0.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6177   -2.2699   -0.5222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5158   -0.7342   -0.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6578    2.3239   -0.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7070    2.3132    0.7991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2649    2.3786    0.7613 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2 23  1  0
 23  7  1  0
  7  6  2  0
  6  5  1  0
  5  4  2  0
  6 21  1  0
 21 22  1  0
 21 10  2  0
 10  9  1  0
  9  8  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 19  2  0
 19 20  1  0
 19 18  1  0
 18 16  2  0
 16 17  1  0
 16 15  1  0
 15 14  2  0
  4  2  1  0
 20 11  1  0
  8  7  1  0
 14 13  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  3 27  1  0
  3 28  1  0
  3 29  1  0
  5 31  1  0
  4 30  1  0
 22 39  1  0
  9 33  1  0
  8 32  1  0
 12 34  1  0
 18 38  1  0
 17 37  1  0
 15 36  1  0
 14 35  1  0
M  END


  Mrv0541 05061312332D          

 23 26  0  0  0  0            999 V2000
   -7.0830    4.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0830    3.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7545    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0400    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9760    2.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8010    2.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2135    4.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0385    4.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2536    2.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7545    3.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4689    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0400    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5635    2.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8010    3.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2135    2.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4689    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7385    2.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9760    3.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4510    3.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6745    3.6509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5635    4.2548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2536    3.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0385    2.8259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  6  5  2  0  0  0  0
  8  7  2  0  0  0  0
 11  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 12 10  2  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15  6  1  0  0  0  0
 15 14  2  0  0  0  0
 16 10  1  0  0  0  0
 16 11  2  0  0  0  0
 17  9  2  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 18 14  1  0  0  0  0
 19  1  1  0  0  0  0
 19  2  1  0  0  0  0
 19  8  1  0  0  0  0
 20 12  1  0  0  0  0
 21 18  1  0  0  0  0
 22 16  1  0  0  0  0
 22 17  1  0  0  0  0
 23 15  1  0  0  0  0
 23 19  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0062845

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(C)OC2=C(C=C1)C(O)=C(C=C2)C1=CC2=C(O1)C=C(O)C=C2

> <INCHI_IDENTIFIER>
InChI=1S/C19H16O4/c1-19(2)8-7-14-15(23-19)6-5-13(18(14)21)17-9-11-3-4-12(20)10-16(11)22-17/h3-10,20-21H,1-2H3

> <INCHI_KEY>
AOVQEAUIBICOLQ-UHFFFAOYSA-N

> <FORMULA>
C19H16O4

> <MOLECULAR_WEIGHT>
308.3279

> <EXACT_MASS>
308.104859

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
33.790252378383684

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethyl-2H-chromen-5-ol

> <ALOGPS_LOGP>
4.19

> <JCHEM_LOGP>
3.9930884609999993

> <ALOGPS_LOGS>
-3.96

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.196553032062468

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.29858114599504

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1133297795205537

> <JCHEM_POLAR_SURFACE_AREA>
62.83

> <JCHEM_REFRACTIVITY>
88.26800000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.42e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol

> <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     -13.222   7.599   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -13.222   5.619   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.408   3.735   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.075   4.505   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -7.422   3.941   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -8.962   3.941   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -9.732   7.942   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -11.272   7.942   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.207   4.029   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.408   6.815   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.742   4.505   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.075   6.045   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.652   5.275   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -8.962   6.609   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -9.732   5.275   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.742   6.045   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.112   5.275   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -7.422   6.609   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -12.042   6.609   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.259   6.815   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -6.652   7.942   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -4.207   6.521   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0     -11.272   5.275   0.000  0.00  0.00           O+0
CONECT    1   19                                                            
CONECT    2   19                                                            
CONECT    3    4   11                                                       
CONECT    4    3   12                                                       
CONECT    5    6   13                                                       
CONECT    6    5   15                                                       
CONECT    7    8   14                                                       
CONECT    8    7   19                                                       
CONECT    9   11   17                                                       
CONECT   10   12   16                                                       
CONECT   11    3    9   16                                                  
CONECT   12    4   10   20                                                  
CONECT   13    5   17   18                                                  
CONECT   14    7   15   18                                                  
CONECT   15    6   14   23                                                  
CONECT   16   10   11   22                                                  
CONECT   17    9   13   22                                                  
CONECT   18   13   14   21                                                  
CONECT   19    1    2    8   23                                             
CONECT   20   12                                                            
CONECT   21   18                                                            
CONECT   22   16   17                                                       
CONECT   23   15   19                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   52    0
END

View in JSmol

Synonyms

Value	Source
6,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']-2-arylbenzofuran	HMDB
6-(6-Hydroxy-2-benzofuranyl)-2,2-dimethyl-2H-1-benzopyran-5-ol, 9ci	HMDB
Glabrocoumarone b	HMDB

Chemical Formula

C₁₉H₁₆O₄

Average Mass

308.3279 Da

Monoisotopic Mass

308.10486 Da

IUPAC Name

6-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethyl-2H-chromen-5-ol

Traditional Name

6-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol

CAS Registry Number

Not Available

SMILES

CC1(C)OC2=C(C=C1)C(O)=C(C=C2)C1=CC2=C(O1)C=C(O)C=C2

InChI Identifier

InChI=1S/C19H16O4/c1-19(2)8-7-14-15(23-19)6-5-13(18(14)21)17-9-11-3-4-12(20)10-16(11)22-17/h3-10,20-21H,1-2H3

InChI Key

AOVQEAUIBICOLQ-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
Erythrina addisoniae	LOTUS Database	35616633
Glycyrrhiza glabra	Plant	KNApSAcK
Glycyrrhiza inflata	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

2-arylbenzofuran flavonoids

Sub Class

Not Available

Direct Parent

2-arylbenzofuran flavonoids

Alternative Parents

Substituents

2-arylbenzofuran flavonoid
2,2-dimethyl-1-benzopyran
Benzopyran
1-benzopyran
Benzofuran
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Benzenoid
Heteroaromatic compound
Furan
Ether
Oxacycle
Organoheterocyclic compound
Organooxygen compound
Organic oxygen compound
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

1-benzofurans (CHEBI:85109 )
chromenol (CHEBI:85109 )

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	4.19	ALOGPS
logP	3.99	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	8.3	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	62.83 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	88.27 m³·mol⁻¹	ChemAxon
Polarizability	33.79 Å³	ChemAxon
Number of Rings	4	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

HMDB0041303

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB021221

KNApSAcK ID

C00019527

Chemspider ID

23294608

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

15233562

PDB ID

Not Available

ChEBI ID

85109

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for 6,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']-2-arylbenzofuran (NP0062845)

MOL for NP0062845 (6,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']-2-arylbenzofuran)

3D MOL for NP0062845 (6,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']-2-arylbenzofuran)

3D SDF for NP0062845 (6,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']-2-arylbenzofuran)

3D-SDF for NP0062845 (6,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']-2-arylbenzofuran)

PDB for NP0062845 (6,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']-2-arylbenzofuran)

3D PDB for NP0062845 (6,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']-2-arylbenzofuran)

SMILES for NP0062845 (6,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']-2-arylbenzofuran)

INCHI for NP0062845 (6,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']-2-arylbenzofuran)

Structure for NP0062845 (6,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']-2-arylbenzofuran)

3D Structure for NP0062845 (6,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']-2-arylbenzofuran)