Molecular Details
DICL_CP_0320137
- 5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0320137
PubChem CID
Molecular Formula
C16H12O4 Molecular Weight
268.268 g/mol
Synonyms/Alias
[2-(4-methylphenyl)-5;7-bis(oxidanyl)chromen-4-one; CHEMBL182262; SCHEMBL12636897; O9T]
InChI Key
PXFZXOXUQVAZOV-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O4/c1-9-2-4-10(5-3-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14/h2-8,17-18H,1H3
IUPAC Name
5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one
CAS Number
1000023-04-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
32 34 0 0 0 0 0 0 0 0999 V2000
5.3713 -2.0879 -0.6571 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9416 -1.6533 -0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6193 -0.489...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 3
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
10.34% inhibition at 50 μM
Experimental Conditions
pH
Not mention
Holding Potential
Not mention 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
20
Rotatable Bonds
1
logP
3.1796
Complexity
75.9866
TPSA (Ų)
70.67
H-Bond Donors
2
H-Bond Acceptors
4
Ring Count
3