NP-MRD: Showing NP-Card for 5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one (NP0166051)

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Record Information

Version

2.0

Created at

2022-09-03 01:21:05 UTC

Updated at

2022-09-03 01:21:05 UTC

NP-MRD ID

NP0166051

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one

Description

(S)-5,7-Dihydroxy-6-prenylflavanone, also known as 6-prenylpinocembrin or isoglabranin, belongs to the class of organic compounds known as 6-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 6-position. Thus, (S)-5,7-dihydroxy-6-prenylflavanone is considered to be a flavonoid lipid molecule (S)-5,7-Dihydroxy-6-prenylflavanone is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, (S)-5,7-Dihydroxy-6-prenylflavanone has been detected, but not quantified in, herbs and spices and tea. 5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one is found in Ficus formosana, Ficus glumosa, Glycyrrhiza glabra and Helichrysum forskahlii. This could make (S)-5,7-dihydroxy-6-prenylflavanone a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 46  0  0  0  0  0  0  0  0999 V2000
   -5.5642    1.7579    1.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9813    0.6655    0.3584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4459    0.6702   -1.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1348   -0.1909    0.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4711   -1.3128    0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9933   -1.1964    0.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2619   -1.9493    1.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8029   -2.8629    1.9752 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1249   -1.8279    1.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8181   -0.9704    0.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0323   -0.2145   -0.5952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3338   -0.3085   -0.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1053    0.4305   -1.5004 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7906    0.7004   -1.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2430    1.6363   -2.0472 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2584    0.4949   -1.6004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7956    0.3071   -0.2039 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2617    0.3135   -0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7759   -0.1006    1.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1204   -0.1490    1.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9889    0.2258    0.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4962    0.6371   -0.8466 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1232    0.6812   -1.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2049   -0.8652    0.3150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6171    1.4661    1.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9887    1.8611    2.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5337    2.7143    0.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5036    0.3181   -1.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4129    1.7505   -1.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8194    0.1262   -1.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8821   -0.0715    1.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7387   -1.3576   -0.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7706   -2.2826    0.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7531   -3.0727    2.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7266   -2.4311    1.7929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8005    1.0765   -2.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7339    1.3352   -2.1364 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4132   -0.4324   -2.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326    1.2046    0.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1156   -0.4039    1.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4946   -0.4788    2.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0600    0.1791    0.5978 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1728    0.9286   -1.6284 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7314    0.9983   -2.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6 12  2  0
 12 13  1  0
 12 11  1  0
 11 10  2  0
 10 24  1  0
 24 17  1  0
 17 16  1  0
 16 14  1  0
 14 15  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 10  9  1  0
  9  7  2  0
  7  8  1  0
  7  6  1  0
 14 11  1  0
 23 18  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
  4 31  1  0
  5 32  1  0
  5 33  1  0
 13 36  1  0
 17 39  1  1
 16 37  1  0
 16 38  1  0
 19 40  1  0
 20 41  1  0
 21 42  1  0
 22 43  1  0
 23 44  1  0
  9 35  1  0
  8 34  1  0
M  END


  Mrv0541 05061309472D          

 24 26  0  0  0  0            999 V2000
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    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
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    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
    5.0013   -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
    1.4289    0.0000    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
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    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
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  9  8  1  0  0  0  0
 12  1  1  0  0  0  0
 12  2  1  0  0  0  0
 12  8  2  0  0  0  0
 13  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  2  0  0  0  0
 15 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18 10  1  0  0  0  0
 19 16  1  0  0  0  0
 19 18  2  0  0  0  0
 20 14  2  0  0  0  0
 20 19  1  0  0  0  0
 21 15  1  0  0  0  0
 22 16  2  0  0  0  0
 23 20  1  0  0  0  0
 24 17  1  0  0  0  0
 24 18  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0166051

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCC1=C(O)C2=C(OC(CC2=O)C2=CC=CC=C2)C=C1O

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

> <INCHI_KEY>
UOWOIGNEFLTNAW-UHFFFAOYSA-N

> <FORMULA>
C20H20O4

> <MOLECULAR_WEIGHT>
324.3704

> <EXACT_MASS>
324.136159128

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
36.00003752400166

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one

> <ALOGPS_LOGP>
3.56

> <JCHEM_LOGP>
4.867240371333333

> <ALOGPS_LOGS>
-4.22

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.47318811032918

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.73607218441128

> <JCHEM_PKA_STRONGEST_BASIC>
-3.913812961843294

> <JCHEM_POLAR_SURFACE_AREA>
66.76

> <JCHEM_REFRACTIVITY>
93.55169999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.95e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one

> <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      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.669   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.336  -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       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
CONECT    1   12                                                            
CONECT    2   12                                                            
CONECT    3    4    5                                                       
CONECT    4    3    6                                                       
CONECT    5    3    7                                                       
CONECT    6    4   13                                                       
CONECT    7    5   13                                                       
CONECT    8    9   12                                                       
CONECT    9    8   14                                                       
CONECT   10   15   18                                                       
CONECT   11   16   17                                                       
CONECT   12    1    2    8                                                  
CONECT   13    6    7   17                                                  
CONECT   14    9   15   20                                                  
CONECT   15   10   14   21                                                  
CONECT   16   11   19   22                                                  
CONECT   17   11   13   24                                                  
CONECT   18   10   19   24                                                  
CONECT   19   16   18   20                                                  
CONECT   20   14   19   23                                                  
CONECT   21   15                                                            
CONECT   22   16                                                            
CONECT   23   20                                                            
CONECT   24   17   18                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Value	Source
6-Prenylpinocembrin	HMDB
Isoglabranin	HMDB

Chemical Formula

C₂₀H₂₀O₄

Average Mass

324.3704 Da

Monoisotopic Mass

324.13616 Da

IUPAC Name

5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one

Traditional Name

5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one

CAS Registry Number

Not Available

SMILES

CC(C)=CCC1=C(O)C2=C(OC(CC2=O)C2=CC=CC=C2)C=C1O

InChI Identifier

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

InChI Key

UOWOIGNEFLTNAW-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
Ficus formosana	LOTUS Database	35616633
Ficus glumosa	LOTUS Database	35616633
Glycyrrhiza glabra	LOTUS Database	35616633
Helichrysum forskahlii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 6-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 6-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

6-prenylated flavanones

Alternative Parents

Substituents

6-prenylated flavanone
5-hydroxyflavonoid
7-hydroxyflavonoid
Flavanone
Hydroxyflavonoid
Chromone
Chromane
Benzopyran
1-benzopyran
Aryl ketone
Aryl alkyl ketone
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Monocyclic benzene moiety
Vinylogous acid
Ketone
Organoheterocyclic compound
Oxacycle
Ether
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Flavanones (LMPK12140166 )

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	3.56	ALOGPS
logP	4.87	ChemAxon
logS	-4.2	ALOGPS
pKa (Strongest Acidic)	7.74	ChemAxon
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	66.76 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	93.55 m³·mol⁻¹	ChemAxon
Polarizability	36 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

HMDB0037445

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB016503

KNApSAcK ID

C00008171

Chemspider ID

421847

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

480763

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one (NP0166051)

MOL for NP0166051 (5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

3D MOL for NP0166051 (5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

3D SDF for NP0166051 (5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

3D-SDF for NP0166051 (5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

PDB for NP0166051 (5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

3D PDB for NP0166051 (5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

SMILES for NP0166051 (5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

INCHI for NP0166051 (5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

Structure for NP0166051 (5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

3D Structure for NP0166051 (5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one)