Molecular Details
DICL_CP_0320488
- 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0320488
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
ATP sensitive inward rectifier potassium channel 1
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: 27 (at 10min) 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
−120 mV mV
Temperature
25–27 °C
Test Method
Patch-clamping
Test Species
Osteoclasts
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