Molecular Details
DICL_CP_0307722
- 3-methylidene-2-benzofuran-1-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307722
PubChem CID
Molecular Formula
C9H6O2 Molecular Weight
146.145 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
IWTLIIZTPVRRFW-UHFFFAOYSA-N
InChI
InChI=1S/C9H6O2/c1-6-7-4-2-3-5-8(7)9(10)11-6/h2-5H,1H2
IUPAC Name
3-methylidene-2-benzofuran-1-one
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
17 18 0 0 0 0 0 0 0 0999 V2000
2.8362 -0.5538 -0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7695 0.2380 0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8335 1.630...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily M member 8
Uniprot Accession Number
Function
Modulator
Species
Rattus norvegicus (Rat)
IC50
IC50: >200000 (against the effect of menthol (50 μM)) 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 7.4
Holding Potential
Not specified
Temperature
25 ℃
Test Method
Influx assay (Calcium ion)
Test Species
HEK293 (human embryonic kidney) cells
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
11
Rotatable Bonds
0
logP
1.8277
Complexity
40.8915
TPSA (Ų)
26.3
H-Bond Donors
0
H-Bond Acceptors
2
Ring Count
2