Molecular Details
DICL_CP_0319796
- 2-(2-methoxyphenyl)-6-methylchromen-4-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0319796
PubChem CID
Molecular Formula
C17H14O3 Molecular Weight
266.296 g/mol
Synonyms/Alias
[89112-85-6; 2-(2-methoxyphenyl)-6-methylchromen-4-one; 2MeO6MF; 2-Methoxy-6-methylflavone; 2-(2-methoxyphenyl)-6-methyl-4H-chromen-4-one; 4H-1-Benzopyran-4-one; 2-(2-methoxyphenyl)-6-methyl-; CHEMBL3...
InChI Key
QEIHFNZSIRWEBX-UHFFFAOYSA-N
InChI
InChI=1S/C17H14O3/c1-11-7-8-16-13(9-11)14(18)10-17(20-16)12-5-3-4-6-15(12)19-2/h3-10H,1-2H3
IUPAC Name
2-(2-methoxyphenyl)-6-methylchromen-4-one
CAS Number
36545-53-6
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
34 36 0 0 0 0 0 0 0 0999 V2000
5.6493 -0.7999 0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1603 -0.6597 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5668 0.612...
Experimental Data
Activity Data
Target Ion Channel
Gamma-aminobutyric acid receptor subunit alpha-2/beta-1gamma-2L
Uniprot Accession Number
Function
Activator
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 74300 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.3
Holding Potential
60 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
URL
N/A (Not available)
PMID
Patent
N/A (Not available)
Computed Properties
Heavy Atom Count
20
Rotatable Bonds
2
logP
3.777
Complexity
79.209
TPSA (Ų)
39.44
H-Bond Donors
0
H-Bond Acceptors
3
Ring Count
3