NP-MRD: Showing NP-Card for (2s)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one (NP0149133)

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Record Information

Version

2.0

Created at

2022-09-02 04:58:45 UTC

Updated at

2022-09-02 04:58:45 UTC

NP-MRD ID

NP0149133

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one

Description

(2S)-5,7-dihydroxy-6,8-dimethylflavanone, also known as 6,8-dimethylpinocembrin or demethoxymatteucinol, belongs to the class of organic compounds known as flavanones. Flavanones are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3 (2S)-5,7-dihydroxy-6,8-dimethylflavanone is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. (2s)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one is found in Bauhinia purpurea, Ceratiola ericoides, Parathelypteris japonica, Desmos chinensis, Desmos cochinchinensis, Morella serrata, Psorothamnus polydenius, Syzygium nervosum, Syzygium samarangense, Toona sinensis and Uvaria afzelii. Based on a literature review very few articles have been published on (2S)-5,7-dihydroxy-6,8-dimethylflavanone.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 37 39  0  0  0  0  0  0  0  0999 V2000
   -4.0705    0.8677    1.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8806    0.3960    0.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6466   -0.9488    0.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5525   -1.8702    0.8679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5323   -1.3785   -0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2872   -2.8123   -0.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6202   -0.4803   -0.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8495    0.8599   -0.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9704    1.2810   -0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1207    2.6549    0.1176 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1016    1.8148   -1.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0385    3.0226   -0.9658 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1995    1.3361   -2.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -0.0531   -1.7638 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4354    0.0087   -0.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9241    1.1565    0.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6733    1.1504    1.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9527   -0.0342    1.8713 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4775   -1.2036    1.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7405   -1.1816    0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4983   -0.8951   -1.5826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8307    1.1564    2.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5599    1.7335    0.7530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8447    0.0756    1.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3855   -2.8449    0.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4299   -3.3410    0.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0717   -3.2023   -1.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2797   -3.0069   -0.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9319    2.9843    0.6229 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0094    2.0487   -2.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7097    1.3077   -3.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1979   -0.4796   -2.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217    2.1113   -0.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0429    2.0746    1.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5427   -0.0635    2.8017 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6871   -2.1459    1.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3510   -2.0989   -0.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  2  0
  7 21  1  0
 21 14  1  0
 14 13  1  0
 13 11  1  0
 11 12  2  0
 11  8  1  0
  8  9  2  0
  9 10  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
  9  2  1  0
 20 15  1  0
  8  7  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  4 25  1  0
  6 26  1  0
  6 27  1  0
  6 28  1  0
 14 32  1  6
 13 30  1  0
 13 31  1  0
 10 29  1  0
 16 33  1  0
 17 34  1  0
 18 35  1  0
 19 36  1  0
 20 37  1  0
M  END


  Mrv1652309022206582D          

 21 23  0  0  1  0            999 V2000
   -1.4289    0.0000    0.0000 C   0  0  0  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
   -0.7145   -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   -1.6500    0.0000 C   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   -1.2375    0.0000 C   0  0  0  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
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   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
    2.1434   -1.2375    0.0000 C   0  0  1  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
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    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
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
  7 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0149133

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=C(O)C(C)=C2O[C@@H](CC(=O)C2=C1O)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C17H16O4/c1-9-15(19)10(2)17-14(16(9)20)12(18)8-13(21-17)11-6-4-3-5-7-11/h3-7,13,19-20H,8H2,1-2H3/t13-/m0/s1

> <INCHI_KEY>
HAIHGFWQOPJMPV-ZDUSSCGKSA-N

> <FORMULA>
C17H16O4

> <MOLECULAR_WEIGHT>
284.311

> <EXACT_MASS>
284.104858995

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
30.396261181105537

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one

> <ALOGPS_LOGP>
2.96

> <JCHEM_LOGP>
4.165516150666666

> <ALOGPS_LOGS>
-3.79

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.212918989013614

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.625405566933487

> <JCHEM_PKA_STRONGEST_BASIC>
-4.935331162192583

> <JCHEM_POLAR_SURFACE_AREA>
66.76

> <JCHEM_REFRACTIVITY>
79.39130000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.59e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydro-1-benzopyran-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  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335  -3.080   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  -3.080   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    9                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   21                                                  
CONECT    8    7    9   11                                                  
CONECT    9    8    2   10                                                  
CONECT   10    9                                                            
CONECT   11    8   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   21                                                  
CONECT   15   14   16   20                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   15                                                       
CONECT   21   14    7                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   46    0
END

View in JSmol

Synonyms

Value	Source
(-)-Demethoxymatteucinol	ChEBI
(2S)-2,3-Dihydro-5,7-dihydroxy-6,8-dimethyl-2-phenyl-4H-1-benzopyran-4-one	ChEBI
6,8-Dimethylpinocembrin	ChEBI
Demethoxymatteucinol	ChEBI

Chemical Formula

C₁₇H₁₆O₄

Average Mass

284.3110 Da

Monoisotopic Mass

284.10486 Da

IUPAC Name

(2S)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one

Traditional Name

(2S)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one

CAS Registry Number

Not Available

SMILES

CC1=C(O)C(C)=C2O[C@@H](CC(=O)C2=C1O)C1=CC=CC=C1

InChI Identifier

InChI=1S/C17H16O4/c1-9-15(19)10(2)17-14(16(9)20)12(18)8-13(21-17)11-6-4-3-5-7-11/h3-7,13,19-20H,8H2,1-2H3/t13-/m0/s1

InChI Key

HAIHGFWQOPJMPV-ZDUSSCGKSA-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
Bauhinia purpurea	LOTUS Database	35616633
Ceratiola ericoides	LOTUS Database	35616633
Coryphopteris japonica	LOTUS Database	35616633
Desmos chinensis	LOTUS Database	35616633
Desmos cochinchinensis	LOTUS Database	35616633
Morella serrata	LOTUS Database	35616633
Psorothamnus polydenius	LOTUS Database	35616633
Syzygium nervosum	LOTUS Database	35616633
Syzygium samarangense	LOTUS Database	35616633
Toona sinensis	LOTUS Database	35616633
Uvaria afzelii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavanones. Flavanones are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

Flavanones

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

dihydroxyflavanone (CHEBI:70664 )

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	2.96	ALOGPS
logP	4.17	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	8.63	ChemAxon
pKa (Strongest Basic)	-4.9	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	1	ChemAxon
Refractivity	79.39 m³·mol⁻¹	ChemAxon
Polarizability	30.4 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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00008168

Chemspider ID

157113

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

180550

PDB ID

Not Available

ChEBI ID

70664

Good Scents ID

rw1821991

References

General References

LOTUS database [Link]

Showing NP-Card for (2s)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one (NP0149133)

MOL for NP0149133 ((2s)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

3D MOL for NP0149133 ((2s)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

3D SDF for NP0149133 ((2s)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

3D-SDF for NP0149133 ((2s)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

PDB for NP0149133 ((2s)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

3D PDB for NP0149133 ((2s)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

SMILES for NP0149133 ((2s)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

INCHI for NP0149133 ((2s)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

Structure for NP0149133 ((2s)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

3D Structure for NP0149133 ((2s)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one)