Molecular Details
DICL_CP_0331590
- 5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0331590
PubChem CID
Molecular Formula
C18H16O5 Molecular Weight
312.321 g/mol
Synonyms/Alias
[4;5;7-Trimethoxyflavone; 5631-70-9; Apigenin trimethyl ether; Trimethylapigenin; 5;7;4-Trimethoxyflavone; 5;7;4-Trimethylapigenin; 5;7-Dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one; 5;7-dimethoxy-2-...
InChI Key
ZXJJBDHPUHUUHD-UHFFFAOYSA-N
InChI
InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-10H,1-3H3
IUPAC Name
5,7-dimethoxy-2-(4-methoxyphenyl)chromen-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
23 25 0 0 0 0 0 0 0 0999 V2000
-7.6067 1.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9888 0.2398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4961 0...
Experimental Data
Activity Data
Target Ion Channel
A-type voltage-gated potassium channel KCND3
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: 19800 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
50 mV mV
Temperature
Not mention
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
Computed Properties
Heavy Atom Count
23
Rotatable Bonds
4
logP
3.4858
Complexity
87.576
TPSA (Ų)
57.9
H-Bond Donors
0
H-Bond Acceptors
5
Ring Count
3