Molecular Details
DICL_CP_0323077
- 3-hydroxy-2-(2-methoxyphenyl)-6-methylchromen-4-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0323077
PubChem CID
Molecular Formula
C17H14O4 Molecular Weight
282.295 g/mol
Synonyms/Alias
[CHEMBL4446619; AKOS001679519; SR-01000115461; SR-01000115461-1]
InChI Key
JOJVTBICFLXJOA-UHFFFAOYSA-N
InChI
InChI=1S/C17H14O4/c1-10-7-8-14-12(9-10)15(18)16(19)17(21-14)11-5-3-4-6-13(11)20-2/h3-9,19H,1-2H3
IUPAC Name
3-hydroxy-2-(2-methoxyphenyl)-6-methylchromen-4-one
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
21 23 0 0 0 0 0 0 0 0999 V2000
6.2483 -0.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8008 0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7364 -0...
Experimental Data
Activity Data
Target Ion Channel
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/delta
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 67800 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
20–23 °C
Test Method
Binding assay ([3H] flunitrazepam)
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
21
Rotatable Bonds
2
logP
3.4826
Complexity
80.8738
TPSA (Ų)
59.67
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
3