NP-MRD: Showing NP-Card for (2s)-7-hydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one (NP0234640)

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Record Information

Version

2.0

Created at

2022-09-06 16:47:47 UTC

Updated at

2022-09-06 16:47:48 UTC

NP-MRD ID

NP0234640

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-7-hydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one

Description

CHEMBL470452 belongs to the class of organic compounds known as 3'-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 3'-position. (2s)-7-hydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one is found in Erythrina mildbraedii. Based on a literature review very few articles have been published on CHEMBL470452.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062218472D          

 30 32  0  0  1  0            999 V2000
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    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
   -2.8579   -1.6500    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   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    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
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    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
    1.4289    0.8250    0.0000 O   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
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    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   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    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
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   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
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
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  4 10  1  0  0  0  0
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 12 13  1  0  0  0  0
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 21 22  2  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
 12 23  1  0  0  0  0
 11 24  1  0  0  0  0
 24 25  2  0  0  0  0
  3 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
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END

     RDKit          3D

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   -2.8862    0.1388    1.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5759    0.0636    0.6505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165    1.1789    0.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4387    2.5243    0.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1677    2.9378   -0.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4243    3.2951   -0.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5965    2.0731    0.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2234    3.2413    1.3590 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2235    1.9627    0.8828 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5643    0.8196    0.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1822    0.7333    0.4229 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3405   -1.3131    0.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0029   -1.1797    0.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8551   -2.3719    0.6576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7890   -2.6192   -0.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7206   -3.7428   -1.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7228   -4.7666   -0.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8067   -2.2627   -0.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4804   -2.3224    1.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1761   -3.2539    0.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5033   -1.8279   -0.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
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 20 49  1  0
 21 50  1  0
M  END


  Mrv1652309062218472D          

 30 32  0  0  1  0            999 V2000
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    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
   -2.8579   -1.6500    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   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    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
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 11 24  1  0  0  0  0
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  3 25  1  0  0  0  0
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 28 30  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0234640

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(CC=C(C)C)C=C(C=C1CC=C(C)C)[C@@H]1CC(=O)C2=CC=C(O)C=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C26H30O4/c1-16(2)6-8-18-12-20(13-19(26(18)29-5)9-7-17(3)4)24-15-23(28)22-11-10-21(27)14-25(22)30-24/h6-7,10-14,24,27H,8-9,15H2,1-5H3/t24-/m0/s1

> <INCHI_KEY>
UOOVGAFDYLDFRW-DEOSSOPVSA-N

> <FORMULA>
C26H30O4

> <MOLECULAR_WEIGHT>
406.522

> <EXACT_MASS>
406.214409446

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
60

> <JCHEM_AVERAGE_POLARIZABILITY>
46.55426655657365

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-7-hydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-3,4-dihydro-2H-1-benzopyran-4-one

> <JCHEM_LOGP>
6.091701426666667

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.099946030077117

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.797975105307748

> <JCHEM_PKA_STRONGEST_BASIC>
-4.589257615966839

> <JCHEM_POLAR_SURFACE_AREA>
55.760000000000005

> <JCHEM_REFRACTIVITY>
122.2768

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-7-hydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -8.002  -3.080   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000  -3.080   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       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   25                                                  
CONECT    4    3    5   10                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    4   11                                                       
CONECT   11   10   12   24                                                  
CONECT   12   11   13   23                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   22                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   16   23                                                  
CONECT   23   22   12                                                       
CONECT   24   11   25                                                       
CONECT   25   24    3   26                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   64    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₆H₃₀O₄

Average Mass

406.5220 Da

Monoisotopic Mass

406.21441 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=C(CC=C(C)C)C=C(C=C1CC=C(C)C)[C@@H]1CC(=O)C2=CC=C(O)C=C2O1

InChI Identifier

InChI=1S/C26H30O4/c1-16(2)6-8-18-12-20(13-19(26(18)29-5)9-7-17(3)4)24-15-23(28)22-11-10-21(27)14-25(22)30-24/h6-7,10-14,24,27H,8-9,15H2,1-5H3/t24-/m0/s1

InChI Key

UOOVGAFDYLDFRW-DEOSSOPVSA-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
Erythrina mildbraedii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 3'-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 3'-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

3'-prenylated flavanones

Alternative Parents

Substituents

3'-prenylated flavanone
4p-methoxyflavonoid-skeleton
7-hydroxyflavonoid
Flavanone
Hydroxyflavonoid
Chromone
Benzopyran
Chromane
1-benzopyran
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Aryl alkyl ketone
Aryl ketone
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Ketone
Oxacycle
Organoheterocyclic compound
Ether
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Aldehyde
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

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

10168047

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11995580

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s)-7-hydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one (NP0234640)

MOL for NP0234640 ((2s)-7-hydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one)

3D MOL for NP0234640 ((2s)-7-hydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one)

3D SDF for NP0234640 ((2s)-7-hydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one)

3D-SDF for NP0234640 ((2s)-7-hydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one)

PDB for NP0234640 ((2s)-7-hydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one)

3D PDB for NP0234640 ((2s)-7-hydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one)

SMILES for NP0234640 ((2s)-7-hydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one)

INCHI for NP0234640 ((2s)-7-hydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one)

Structure for NP0234640 ((2s)-7-hydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one)

3D Structure for NP0234640 ((2s)-7-hydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-1-benzopyran-4-one)