Molecular Details
DICL_CP_0308019
- 5-methyl-2-propan-2-ylphenol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308019
PubChem CID
Molecular Formula
C10H14O Molecular Weight
150.221 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
MGSRCZKZVOBKFT-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
IUPAC Name
5-methyl-2-propan-2-ylphenol
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
25 25 0 0 0 0 0 0 0 0999 V2000
-2.7247 -0.7625 -0.6195 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8614 0.4954 -0.4487 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3858 1.442...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily M member 8
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 314600 (icilin(0.25μM)) 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 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
HEK293 cell
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
1
logP
2.824
Complexity
46.9328
TPSA (Ų)
20.23
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
1