Molecular Details
DICL_CP_0310046
- (E)-dodec-2-enal
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0310046
PubChem CID
Molecular Formula
C12H22O Molecular Weight
182.307 g/mol
Synonyms/Alias
[trans-2-Dodecenal; 20407-84-5; 2-DODECENAL; (E)-dodec-2-enal; 2-Dodecenal; (2E)-; trans-2-Dodecen-1-al; (E)-2-Dodecen-1-al; 2-Dodecenal; (E)-; (E)-Dodec-2-en-1-al; beta-Octyl acrolein; Dodecenal; Dod...
InChI Key
SSNZFFBDIMUILS-ZHACJKMWSA-N
InChI
InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3/b11-10+
IUPAC Name
(E)-dodec-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
35 34 0 0 0 0 0 0 0 0999 V2000
-5.3027 0.5725 1.1679 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2570 1.4622 0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8344 0.889...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily KQT member 2/3
Uniprot Accession Number
Function
Activator
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 60 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.6
Holding Potential
−80 mV mV
Temperature
20−25 °C
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
13
Rotatable Bonds
9
logP
3.8822
Complexity
57.814
TPSA (Ų)
17.07
H-Bond Donors
0
H-Bond Acceptors
1
Ring Count
0