NP-MRD: Showing NP-Card for 4-{8,8-dimethyl-2h,3h,4h-pyrano[2,3-f]chromen-3-yl}benzene-1,3-diol (NP0245163)

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Record Information

Version

1.0

Created at

2022-09-07 06:08:22 UTC

Updated at

2022-09-07 06:08:22 UTC

NP-MRD ID

NP0245163

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-{8,8-dimethyl-2h,3h,4h-pyrano[2,3-f]chromen-3-yl}benzene-1,3-diol

Description

(R)-Glabridin, also known as glabridin, belongs to the class of organic compounds known as pyranoisoflavonoids. These are isoflavonoids that contain a pyran ring fused to either of the A, B, or C ring of the isoflavonoid skeleton (R)-Glabridin is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, (R)-Glabridin has been detected, but not quantified in, herbs and spices and tea. 4-{8,8-dimethyl-2h,3h,4h-pyrano[2,3-f]chromen-3-yl}benzene-1,3-diol is found in Glycyrrhiza glabra and Glycyrrhiza uralensis. This could make (R)-glabridin a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 47  0  0  0  0  0  0  0  0999 V2000
   -5.5841    0.4359   -1.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8605    0.2555   -0.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9878    0.2113    0.8834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9736    1.4355    0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6646    1.3757    0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0742    0.0702   -0.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8434   -1.0723   -0.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2118   -2.3033   -0.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8529   -2.4025   -0.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0579   -1.2289   -0.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6904   -0.0278   -0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    1.1386   -0.0510 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3671    1.0962    0.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1104   -0.1326    0.1840 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5568   -0.0555   -0.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4493   -0.9354    0.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7913   -0.7179    0.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3425    0.3916    0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7319    0.6106    0.2120 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5283    1.2862   -0.5525 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1486    1.0347   -0.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4073    1.9510   -1.3392 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022   -1.3381   -0.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2001   -0.9769   -0.1489 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7802    0.4312   -2.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2850   -0.3757   -1.5670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9942    1.4405   -1.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6418   -0.1700    1.8544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7637   -0.5015    0.4552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4636    1.2231    0.9806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4123    2.4486    0.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0260    2.2466    0.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8049   -3.2337   -0.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3112   -3.3347   -0.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8812    2.0468    0.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0933    1.1352    1.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2027   -0.5452    1.3903 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9731   -1.8047    1.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3906   -1.4573    1.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3109    0.2311   -0.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9165    2.1685   -1.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4450    1.7187   -1.5684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7144   -2.2545    0.2403 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6456   -1.5149   -1.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2 24  1  0
 24  7  1  0
  7  6  2  0
  6  5  1  0
  5  4  2  0
  6 11  1  0
 11 10  2  0
 10 23  1  0
 23 14  1  0
 14 13  1  0
 13 12  1  0
 14 15  1  0
 15 21  2  0
 21 22  1  0
 21 20  1  0
 20 18  2  0
 18 19  1  0
 18 17  1  0
 17 16  2  0
 10  9  1  0
  9  8  2  0
  4  2  1  0
 12 11  1  0
 16 15  1  0
  8  7  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  3 28  1  0
  3 29  1  0
  3 30  1  0
  5 32  1  0
  4 31  1  0
 23 43  1  0
 23 44  1  0
 14 37  1  1
 13 35  1  0
 13 36  1  0
 22 42  1  0
 20 41  1  0
 19 40  1  0
 17 39  1  0
 16 38  1  0
  9 34  1  0
  8 33  1  0
M  END


  Mrv0541 05061307382D          

 24 27  0  0  0  0            999 V2000
    4.6465    0.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6465   -0.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5855    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4105    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  2  0  0  0  0
  6  3  2  0  0  0  0
  8  7  2  0  0  0  0
 12  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  0  0  0  0
 14 10  2  0  0  0  0
 15  5  1  0  0  0  0
 15 13  1  0  0  0  0
 16  7  1  0  0  0  0
 17 10  1  0  0  0  0
 17 15  2  0  0  0  0
 18  6  1  0  0  0  0
 18 16  2  0  0  0  0
 19 12  2  0  0  0  0
 19 16  1  0  0  0  0
 20  1  1  0  0  0  0
 20  2  1  0  0  0  0
 20  8  1  0  0  0  0
 21 14  1  0  0  0  0
 22 17  1  0  0  0  0
 23 11  1  0  0  0  0
 23 19  1  0  0  0  0
 24 18  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0245163

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(C)OC2=C(C=C1)C1=C(CC(CO1)C1=C(O)C=C(O)C=C1)C=C2

> <INCHI_IDENTIFIER>
InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3

> <INCHI_KEY>
LBQIJVLKGVZRIW-UHFFFAOYSA-N

> <FORMULA>
C20H20O4

> <MOLECULAR_WEIGHT>
324.3704

> <EXACT_MASS>
324.136159128

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
34.70332244758664

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-{8,8-dimethyl-2H,3H,4H,8H-pyrano[2,3-f]chromen-3-yl}benzene-1,3-diol

> <ALOGPS_LOGP>
3.81

> <JCHEM_LOGP>
4.092301279333332

> <ALOGPS_LOGS>
-4.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.859613955113344

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.516526753486659

> <JCHEM_PKA_STRONGEST_BASIC>
-4.58598679058369

> <JCHEM_POLAR_SURFACE_AREA>
58.92

> <JCHEM_REFRACTIVITY>
93.35359999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.26e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-{8,8-dimethyl-2H,3H,4H-pyrano[2,3-f]chromen-3-yl}benzene-1,3-diol

> <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       8.673   1.760   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.673  -0.220   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.874  -1.897   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.056  -0.564   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.516  -0.564   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.414  -1.897   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.184   2.104   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.724   2.104   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.564  -0.564   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.056   2.104   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.564   2.104   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.104  -0.564   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.206   0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.826   0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.746   0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.414   0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.516   2.104   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.184  -0.564   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.874   0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.494   0.770   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -6.366   0.770   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -1.746   3.437   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       2.104   2.104   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       6.724  -0.564   0.000  0.00  0.00           O+0
CONECT    1   20                                                            
CONECT    2   20                                                            
CONECT    3    6   12                                                       
CONECT    4    5   14                                                       
CONECT    5    4   15                                                       
CONECT    6    3   18                                                       
CONECT    7    8   16                                                       
CONECT    8    7   20                                                       
CONECT    9   12   13                                                       
CONECT   10   14   17                                                       
CONECT   11   13   23                                                       
CONECT   12    3    9   19                                                  
CONECT   13    9   11   15                                                  
CONECT   14    4   10   21                                                  
CONECT   15    5   13   17                                                  
CONECT   16    7   18   19                                                  
CONECT   17   10   15   22                                                  
CONECT   18    6   16   24                                                  
CONECT   19   12   16   23                                                  
CONECT   20    1    2    8   24                                             
CONECT   21   14                                                            
CONECT   22   17                                                            
CONECT   23   11   19                                                       
CONECT   24   18   20                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   54    0
END

View in JSmol

Synonyms

Value	Source
Glabridin	HMDB

Chemical Formula

C₂₀H₂₀O₄

Average Mass

324.3704 Da

Monoisotopic Mass

324.13616 Da

IUPAC Name

4-{8,8-dimethyl-2H,3H,4H,8H-pyrano[2,3-f]chromen-3-yl}benzene-1,3-diol

Traditional Name

4-{8,8-dimethyl-2H,3H,4H-pyrano[2,3-f]chromen-3-yl}benzene-1,3-diol

CAS Registry Number

Not Available

SMILES

CC1(C)OC2=C(C=C1)C1=C(CC(CO1)C1=C(O)C=C(O)C=C1)C=C2

InChI Identifier

InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3

InChI Key

LBQIJVLKGVZRIW-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
Glycyrrhiza glabra	LOTUS Database	35616633
Glycyrrhiza uralensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyranoisoflavonoids. These are isoflavonoids that contain a pyran ring fused to either of the A, B, or C ring of the isoflavonoid skeleton.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Pyranoisoflavonoids

Direct Parent

Pyranoisoflavonoids

Alternative Parents

Substituents

Pyranoisoflavonoid
Hydroxyisoflavonoid
Isoflavanol
Isoflavan
Pyranochromene
2,2-dimethyl-1-benzopyran
Chromane
Benzopyran
1-benzopyran
Resorcinol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Monocyclic benzene moiety
Benzenoid
Oxacycle
Organoheterocyclic compound
Ether
Organic oxygen compound
Hydrocarbon derivative
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	3.81	ALOGPS
logP	4.09	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Acidic)	9.52	ChemAxon
pKa (Strongest Basic)	-4.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	58.92 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	93.35 m³·mol⁻¹	ChemAxon
Polarizability	34.7 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

HMDB0034188

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

4484219

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4-{8,8-dimethyl-2h,3h,4h-pyrano[2,3-f]chromen-3-yl}benzene-1,3-diol (NP0245163)

MOL for NP0245163 (4-{8,8-dimethyl-2h,3h,4h-pyrano[2,3-f]chromen-3-yl}benzene-1,3-diol)

3D MOL for NP0245163 (4-{8,8-dimethyl-2h,3h,4h-pyrano[2,3-f]chromen-3-yl}benzene-1,3-diol)

3D SDF for NP0245163 (4-{8,8-dimethyl-2h,3h,4h-pyrano[2,3-f]chromen-3-yl}benzene-1,3-diol)

3D-SDF for NP0245163 (4-{8,8-dimethyl-2h,3h,4h-pyrano[2,3-f]chromen-3-yl}benzene-1,3-diol)

PDB for NP0245163 (4-{8,8-dimethyl-2h,3h,4h-pyrano[2,3-f]chromen-3-yl}benzene-1,3-diol)

3D PDB for NP0245163 (4-{8,8-dimethyl-2h,3h,4h-pyrano[2,3-f]chromen-3-yl}benzene-1,3-diol)

SMILES for NP0245163 (4-{8,8-dimethyl-2h,3h,4h-pyrano[2,3-f]chromen-3-yl}benzene-1,3-diol)

INCHI for NP0245163 (4-{8,8-dimethyl-2h,3h,4h-pyrano[2,3-f]chromen-3-yl}benzene-1,3-diol)

Structure for NP0245163 (4-{8,8-dimethyl-2h,3h,4h-pyrano[2,3-f]chromen-3-yl}benzene-1,3-diol)

3D Structure for NP0245163 (4-{8,8-dimethyl-2h,3h,4h-pyrano[2,3-f]chromen-3-yl}benzene-1,3-diol)