Molecular Details
DICL_CP_0323249
- (Z)-octadec-9-enoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0323249
PubChem CID
Molecular Formula
C18H34O2 Molecular Weight
282.468 g/mol
Synonyms/Alias
[oleic acid; 112-80-1; cis-9-Octadecenoic acid; oleate; cis-Oleic acid; Wecoline OO; (Z)-Octadec-9-enoic acid; Elaidoic acid; Vopcolene 27; Glycon wo; Glycon RO; Oelsauere; Pamolyn 100; Groco 5l; Groc...
InChI Key
ZQPPMHVWECSIRJ-KTKRTIGZSA-N
InChI
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,2...
IUPAC Name
(Z)-octadec-9-enoic acid
CAS Number
1807732-38-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
54 53 0 0 0 0 0 0 0 0999 V2000
-7.2327 -1.5710 1.0742 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5869 -0.1233 1.4072 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3509 0.772...
Experimental Data
Activity Data
Target Ion Channel
A-type voltage-gated potassium channel KCND3
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: 2200 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
−90 to 50 mV mV
Temperature
Not mention
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
15
logP
6.1085
Complexity
87.0878
TPSA (Ų)
37.3
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
0