Molecular Details
DICL_CP_0323519
- 7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0323519
PubChem CID
Molecular Formula
C16H12O5 Molecular Weight
284.267 g/mol
Synonyms/Alias
[3-Methoxydaidzein; 21913-98-4; 7;4-dihydroxy-3-methoxyisoflavone; 7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)chromen-4-one; CHEBI:65780; 4;7-dihydroxy-3-methoxyisoflavone; 7-hydroxy-3-(4-hydroxy-3-methox...
InChI Key
MUYAUELJBWQNDH-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O5/c1-20-15-6-9(2-5-13(15)18)12-8-21-14-7-10(17)3-4-11(14)16(12)19/h2-8,17-18H,1H3
IUPAC Name
7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CAS Number
1621-61-0
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
-5.8607 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3616 -2.0080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6571 -0...
Experimental Data
Activity Data
Target Ion Channel
Sodium channel protein type 10 subunit alpha
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: 397 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 to 10 mV mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
HEK293T cell (Homo sapiens embryonic kidney 293T 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