Molecular Details
DICL_CP_0306938
- prop-2-enal
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0306938
PubChem CID
Molecular Formula
C3H4O Molecular Weight
56.064 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
HGINCPLSRVDWNT-UHFFFAOYSA-N
InChI
InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
IUPAC Name
prop-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
8 7 0 0 0 0 0 0 0 0999 V2000
-1.2158 -0.1382 0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0401 0.4825 0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1940 -0.219...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily A member 1
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 5000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−50 mV mV
Temperature
>24 ℃
Test Method
Patch-clamping
Test Species
HEK cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
4
Rotatable Bonds
1
logP
0.3713
Complexity
16.261
TPSA (Ų)
17.07
H-Bond Donors
0
H-Bond Acceptors
1
Ring Count
0