Molecular Details
DICL_CP_0322777
- (9Z,12Z)-octadeca-9,12-dienoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0322777
PubChem CID
Molecular Formula
C18H32O2 Molecular Weight
280.452 g/mol
Synonyms/Alias
[linoleic acid; 60-33-3; Linolic acid; (9Z;12Z)-octadeca-9;12-dienoic acid; Telfairic acid; cis;cis-Linoleic acid; Linoleate; Emersol 315; 9;12-Linoleic acid; cis;cis-9;12-Octadecadienoic acid; Unifac...
InChI Key
OYHQOLUKZRVURQ-HZJYTTRNSA-N
InChI
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(...
IUPAC Name
(9Z,12Z)-octadeca-9,12-dienoic acid
CAS Number
1612140-89-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
20 19 0 0 0 0 0 0 0 0999 V2000
4.9407 5.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 4.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9988 2...
Experimental Data
Activity Data
Target Ion Channel
Voltage-gated potassium channel subfamily B member 1
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 7400 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
70 to 50 mV mV
Temperature
19–21 °C
Test Method
Patch-clamping
Test Species
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
20
Rotatable Bonds
14
logP
5.8845
Complexity
86.9938
TPSA (Ų)
37.3
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
0