Molecular Details
DICL_CP_0307518
- (E)-3-phenylprop-2-enal
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307518
PubChem CID
N/A (Not available)
Molecular Formula
C9H8O Molecular Weight
132.162 g/mol
Synonyms/Alias
CA
InChI Key
KJPRLNWUNMBNBZ-QPJJXVBHSA-N
InChI
InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
IUPAC Name
(E)-3-phenylprop-2-enal
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
18 18 0 0 0 0 0 0 0 0999 V2000
2.1853 -3.2798 -2.5226 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2058 -2.4931 -2.4467 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0549 -1.620...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily M member 8
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 9000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Room Temperature
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
10
Rotatable Bonds
2
logP
1.8987
Complexity
41.54
TPSA (Ų)
17.07
H-Bond Donors
0
H-Bond Acceptors
1
Ring Count
1