Molecular Details
DICL_CP_0320483
- 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0320483
PubChem CID
Molecular Formula
C15H10O5 Molecular Weight
270.24 g/mol
Synonyms/Alias
[genistein; 446-72-0; Prunetol; 4;5;7-Trihydroxyisoflavone; Genisterin; Genisteol; Sophoricol; 5;7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; 5;7;4-Trihydroxyisoflavone; Bonistein; Genestein; Dif...
InChI Key
TZBJGXHYKVUXJN-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
IUPAC Name
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
CAS Number
446-72-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
20 22 0 0 0 0 0 0 0 0999 V2000
-3.1200 -1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5971 -1.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1096 0...
Experimental Data
Activity Data
Target Ion Channel
A-type voltage-gated potassium channel KCND3
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 1170 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.3
Holding Potential
−110 to 40 mV mV
Temperature
22–24 °C
Test Method
Patch-clamping
Test Species
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
20
Rotatable Bonds
1
logP
2.5768
Complexity
72.9144
TPSA (Ų)
90.9
H-Bond Donors
3
H-Bond Acceptors
5
Ring Count
3