Molecular Details
DICL_CP_0323528
- 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0323528
PubChem CID
Molecular Formula
C16H12O5 Molecular Weight
284.267 g/mol
Synonyms/Alias
[acacetin; 480-44-4; Linarigenin; 5;7-Dihydroxy-4-methoxyflavone; Buddleoflavonol; Acacetine; 4-Methoxyapigenin; 5;7-Dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one; Linarisenin; Apigenin 4-methyl ethe...
InChI Key
DANYIYRPLHHOCZ-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
IUPAC Name
5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
CAS Number
481-53-8
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
33 35 0 0 0 0 0 0 0 0999 V2000
6.5102 0.1733 -0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4306 0.8816 0.5512 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0752 0.608...
Experimental Data
Activity Data
Target Ion Channel
A-type voltage-gated potassium channel KCND3
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: 7900 (0.2 Hz) nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.3
Holding Potential
−80 mV mV
Temperature
22−23 °C
Test Method
Patch-clamping
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
21
Rotatable Bonds
2
logP
2.8798
Complexity
77.8016
TPSA (Ų)
79.9
H-Bond Donors
2
H-Bond Acceptors
5
Ring Count
3