Molecular Details
DICL_CP_0307057
- (E)-pent-2-enal
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307057
PubChem CID
Molecular Formula
C5H8O Molecular Weight
84.118 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
DTCCTIQRPGSLPT-ONEGZZNKSA-N
InChI
InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+
IUPAC Name
(E)-pent-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
14 13 0 0 0 0 0 0 0 0999 V2000
-1.8820 0.2405 0.5258 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0932 -0.5838 -0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3649 -0.637...
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
6
Rotatable Bonds
2
logP
1.1515
Complexity
25.495
TPSA (Ų)
17.07
H-Bond Donors
0
H-Bond Acceptors
1
Ring Count
0