NP-MRD: Showing NP-Card for Flavone (NP0001250)

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Record Information

Version

2.0

Created at

2006-05-22 15:12:30 UTC

Updated at

2024-09-03 04:17:06 UTC

NP-MRD ID

NP0001250

Natural Product DOI

https://doi.org/10.57994/0923

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Flavone

Description

Quercetin is a flavonoid that forms the "backbone" for many other flavonoids, including the citrus flavonoids rutin, hesperidin, naringin and tangeritin. In studies, quercetin is found to be the most active of the flavonoids, and many medicinal plants owe much of their activity to their high quercetin content. Quercetin has demonstrated significant anti-inflammatory activity because of direct inhibition of several initial processes of inflammation. For example, it inhibits both the manufacture and release of histamine and other allergic/inflammatory mediators. In addition, it exerts potent antioxidant activity and vitamin C-sparing action. -- Wikipedia.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652306202100183D          

 27 29  0  0  0  0            999 V2000
   -1.7123   -1.9128   -0.6880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8652   -1.1326   -0.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5711   -1.4317   -0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4854   -0.5628    0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9573   -0.7900   -0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8527    0.1707    0.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2389   -0.0072    0.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7648   -1.1537   -0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9050   -2.1196   -0.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5180   -1.9396   -0.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1403    0.6383    0.6699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1843    0.9588    0.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4826    2.1715    1.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8144    2.5536    1.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8471    1.7246    1.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5496    0.5113    0.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2145    0.1356    0.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7949   -2.3720   -0.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4854    1.0832    0.9325 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9037    0.7533    0.7973 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8409   -1.2941   -0.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3103   -3.0188   -1.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8971   -2.7279   -1.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3187    2.8191    1.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0476    3.4991    2.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8835    2.0234    1.3115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3522   -0.1364    0.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 11  1  0  0  0  0
 17  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 11  1  0  0  0  0
 12 17  2  0  0  0  0
  2  1  2  0  0  0  0
 16 15  2  0  0  0  0
  4  5  1  0  0  0  0
 17 16  1  0  0  0  0
  5  6  2  0  0  0  0
 15 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
 14 13  2  0  0  0  0
  8  9  1  0  0  0  0
 13 12  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 16 27  1  0  0  0  0
 15 26  1  0  0  0  0
 14 25  1  0  0  0  0
 13 24  1  0  0  0  0
  3 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
M  END


  Mrv1652306202100183D          

 27 29  0  0  0  0            999 V2000
   -1.7123   -1.9128   -0.6880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8652   -1.1326   -0.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5711   -1.4317   -0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4854   -0.5628    0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9573   -0.7900   -0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8527    0.1707    0.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2389   -0.0072    0.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7648   -1.1537   -0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9050   -2.1196   -0.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5180   -1.9396   -0.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1403    0.6383    0.6699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1843    0.9588    0.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4826    2.1715    1.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8144    2.5536    1.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8471    1.7246    1.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5496    0.5113    0.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2145    0.1356    0.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7949   -2.3720   -0.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4854    1.0832    0.9325 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9037    0.7533    0.7973 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8409   -1.2941   -0.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3103   -3.0188   -1.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8971   -2.7279   -1.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3187    2.8191    1.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0476    3.4991    2.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8835    2.0234    1.3115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3522   -0.1364    0.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 11  1  0  0  0  0
 17  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 11  1  0  0  0  0
 12 17  2  0  0  0  0
  2  1  2  0  0  0  0
 16 15  2  0  0  0  0
  4  5  1  0  0  0  0
 17 16  1  0  0  0  0
  5  6  2  0  0  0  0
 15 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
 14 13  2  0  0  0  0
  8  9  1  0  0  0  0
 13 12  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 16 27  1  0  0  0  0
 15 26  1  0  0  0  0
 14 25  1  0  0  0  0
 13 24  1  0  0  0  0
  3 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0001250

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C(=O)C2=C(O1)C([H])=C([H])C([H])=C2[H]

> <INCHI_IDENTIFIER>
InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H

> <INCHI_KEY>
VHBFFQKBGNRLFZ-UHFFFAOYSA-N

> <FORMULA>
C15H10O2

> <MOLECULAR_WEIGHT>
222.2387

> <EXACT_MASS>
222.068079564

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
23.7909696045717

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-phenyl-4H-chromen-4-one

> <ALOGPS_LOGP>
3.54

> <JCHEM_LOGP>
2.9673850986666666

> <ALOGPS_LOGS>
-4.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.633052185880715

> <JCHEM_PKA_STRONGEST_BASIC>
-5.361353235038935

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
66.97120000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.19e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
flavone

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 20-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-JUN-21         0                                  
HETATM    1  O   UNK     0      -1.712  -1.913  -0.688  0.00  0.00           O+0
HETATM    2  C   UNK     0      -0.865  -1.133  -0.273  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.571  -1.432  -0.407  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.485  -0.563   0.055  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.957  -0.790  -0.041  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.853   0.171   0.467  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.239  -0.007   0.396  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.765  -1.154  -0.188  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.905  -2.120  -0.698  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.518  -1.940  -0.626  0.00  0.00           C+0
HETATM   11  O   UNK     0       1.140   0.638   0.670  0.00  0.00           O+0
HETATM   12  C   UNK     0      -0.184   0.959   0.816  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.483   2.172   1.437  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.814   2.554   1.615  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.847   1.725   1.172  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.550   0.511   0.551  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.214   0.136   0.376  0.00  0.00           C+0
HETATM   18  H   UNK     0       0.795  -2.372  -0.889  0.00  0.00           H+0
HETATM   19  H   UNK     0       3.485   1.083   0.933  0.00  0.00           H+0
HETATM   20  H   UNK     0       5.904   0.753   0.797  0.00  0.00           H+0
HETATM   21  H   UNK     0       6.841  -1.294  -0.245  0.00  0.00           H+0
HETATM   22  H   UNK     0       5.310  -3.019  -1.156  0.00  0.00           H+0
HETATM   23  H   UNK     0       2.897  -2.728  -1.041  0.00  0.00           H+0
HETATM   24  H   UNK     0       0.319   2.819   1.783  0.00  0.00           H+0
HETATM   25  H   UNK     0      -2.048   3.499   2.100  0.00  0.00           H+0
HETATM   26  H   UNK     0      -3.884   2.023   1.312  0.00  0.00           H+0
HETATM   27  H   UNK     0      -3.352  -0.136   0.205  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2   17    3    1                                                  
CONECT    3    2    4   18                                                  
CONECT    4    3   11    5                                                  
CONECT    5    4    6   10                                                  
CONECT    6    5    7   19                                                  
CONECT    7    6    8   20                                                  
CONECT    8    7    9   21                                                  
CONECT    9    8   10   22                                                  
CONECT   10    9    5   23                                                  
CONECT   11   12    4                                                       
CONECT   12   11   17   13                                                  
CONECT   13   14   12   24                                                  
CONECT   14   15   13   25                                                  
CONECT   15   16   14   26                                                  
CONECT   16   15   17   27                                                  
CONECT   17    2   12   16                                                  
CONECT   18    3                                                            
CONECT   19    6                                                            
CONECT   20    7                                                            
CONECT   21    8                                                            
CONECT   22    9                                                            
CONECT   23   10                                                            
CONECT   24   13                                                            
CONECT   25   14                                                            
CONECT   26   15                                                            
CONECT   27   16                                                            
MASTER        0    0    0    0    0    0    0    0   27    0   58    0
END

View in JSmol View DFT Assignments 3D Conformers

Synonyms

Value	Source
2-Phenyl-4-benzopyron	ChEBI
2-Phenyl-4-chromone	ChEBI
2-Phenyl-4H-1-benzopyran-4-one	ChEBI
2-Phenyl-4H-benzopyran-4-one	ChEBI
2-PHENYL-4H-chromen-4-one	ChEBI
2-Phenyl-gamma-benzopyrone	ChEBI
2-Phenylbenzopyran-4-one	ChEBI
2-Phenylchromone	ChEBI
Flavon	ChEBI
2-Phenyl-g-benzopyrone	Generator
2-Phenyl-γ-benzopyrone	Generator
Flavone, 14C-labeled	HMDB

Chemical Formula

C₁₅H₁₀O₂

Average Mass

222.2387 Da

Monoisotopic Mass

222.06808 Da

IUPAC Name

2-phenyl-4H-chromen-4-one

Traditional Name

flavone

CAS Registry Number

525-82-6

SMILES

O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1

InChI Identifier

InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H

InChI Key

VHBFFQKBGNRLFZ-UHFFFAOYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)	bgnzk@missouri.edu	MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2023-09-13	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)	bgnzk@missouri.edu	MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2023-09-13	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl₃, experimental)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CDCl₃, experimental)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, CDCl₃, experimental)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, dmso, 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
Acca sellowiana		LOTUS database
Aegle marmelos	Plant	KNApSAcK
Anaphalis lactea		LOTUS database
Artemisia monosperma		LOTUS database
Asphodeline damascena		LOTUS database
Brucea javanica		LOTUS database
Chrysanthemum morifolium		LOTUS database
Conchocarpus heterophyllus		LOTUS database
Coriandrum sativum		LOTUS database
Dionysia spp.	Plant	KNApSAcK
Feijoa sellowiana	Plant	KNApSAcK
Grindelia camporum		LOTUS database
Pimelea decora	Plant	KNApSAcK
Pimelea simplex	Plant	KNApSAcK
Primula denticulata		LOTUS database
Primula spp.	Plant	KNApSAcK
Primula turkestanica		LOTUS database
Primula veris		LOTUS database
Tilia tomentosa		LOTUS database

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavones. These are flavonoids with a structure based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one).

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavones

Direct Parent

Flavones

Alternative Parents

Substituents

Flavone
Chromone
Benzopyran
1-benzopyran
Pyranone
Benzenoid
Monocyclic benzene moiety
Pyran
Heteroaromatic compound
Oxacycle
Organoheterocyclic compound
Organooxygen compound
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

flavones (CHEBI:42491 )
flavones (C15608 )
Flavones and Flavonols (LMPK12110097 )
a flavone (CPD-8485 )

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	100 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	3.56	Hansch CH, Leo A and Hoekman DH. "Exploring QSAR: Hydrophobic, Electronic, and Steric Constraints. Volume 1" ACS Publications (1995).

Predicted Properties

Property	Value	Source
Water Solubility	0.0082 g/L	ALOGPS
logP	3.54	ALOGPS
logP	2.97	ChemAxon
logS	-4.4	ALOGPS
pKa (Strongest Acidic)	15.63	ChemAxon
pKa (Strongest Basic)	-5.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	26.3 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	66.97 m³·mol⁻¹	ChemAxon
Polarizability	23.79 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0003075

DrugBank ID

DB07776

Phenol Explorer Compound ID

Not Available

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Flavones

METLIN ID

3359

PubChem Compound

10680

PDB ID

Not Available

ChEBI ID

42491

Good Scents ID

Not Available

References

General References

Ching LM, Joseph WR, Crosier KE, Baguley BC: Induction of tumor necrosis factor-alpha messenger RNA in human and murine cells by the flavone acetic acid analogue 5,6-dimethylxanthenone-4-acetic acid (NSC 640488). Cancer Res. 1994 Feb 15;54(4):870-2. [PubMed:8313372 ]
Lin N, Sato T, Takayama Y, Mimaki Y, Sashida Y, Yano M, Ito A: Novel anti-inflammatory actions of nobiletin, a citrus polymethoxy flavonoid, on human synovial fibroblasts and mouse macrophages. Biochem Pharmacol. 2003 Jun 15;65(12):2065-71. [PubMed:12787887 ]
Cummings J, Kerr DJ, Kaye SB, Smyth JF: Optimisation of a reversed-phase high-performance liquid chromatographic method for the determination of flavone acetic acid and its major human metabolites in plasma and urine. J Chromatogr. 1988 Sep 23;431(1):77-85. [PubMed:3235538 ]
Cai H, Steward WP, Gescher AJ: Determination of the putative cancer chemopreventive flavone tricin in plasma and tissues of mice by HPLC with UV--visible detection. Biomed Chromatogr. 2005 Sep;19(7):518-22. [PubMed:15828058 ]
Barrellier MT: [Lymphedema: is there a treatment?]. Rev Med Interne. 1992 Jan-Feb;13(1):49-57. [PubMed:1410875 ]
Sengupta B, Uematsu T, Jacobsson P, Swenson J: Exploring the antioxidant property of bioflavonoid quercetin in preventing DNA glycation: a calorimetric and spectroscopic study. Biochem Biophys Res Commun. 2006 Jan 6;339(1):355-61. Epub 2005 Nov 15. [PubMed:16300739 ]
Weiss RB, Greene RF, Knight RD, Collins JM, Pelosi JJ, Sulkes A, Curt GA: Phase I and clinical pharmacology study of intravenous flavone acetic acid (NSC 347512). Cancer Res. 1988 Oct 15;48(20):5878-82. [PubMed:3167843 ]
Alonso M, Tamasdan C, Miller DC, Newcomb EW: Flavopiridol induces apoptosis in glioma cell lines independent of retinoblastoma and p53 tumor suppressor pathway alterations by a caspase-independent pathway. Mol Cancer Ther. 2003 Feb;2(2):139-50. [PubMed:12589031 ]
Kim SJ: Effect of biflavones of Ginkgo biloba against UVB-induced cytotoxicity in vitro. J Dermatol. 2001 Apr;28(4):193-9. [PubMed:11449670 ]

Showing NP-Card for Flavone (NP0001250)

MOL for NP0001250 (Flavone)

3D MOL for NP0001250 (Flavone)

3D SDF for NP0001250 (Flavone)

3D-SDF for NP0001250 (Flavone)

PDB for NP0001250 (Flavone)

3D PDB for NP0001250 (Flavone)

SMILES for NP0001250 (Flavone)

INCHI for NP0001250 (Flavone)

Structure for NP0001250 (Flavone)

3D Structure for NP0001250 (Flavone)