Molecular Details
DICL_CP_0307124
- hexan-1-ol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307124
PubChem CID
Molecular Formula
C6H14O Molecular Weight
102.177 g/mol
Synonyms/Alias
[1-Hexanol; Hexan-1-ol; Hexyl alcohol; 111-27-3; HEXANOL; n-Hexanol; n-Hexyl alcohol; Amylcarbinol; 1-Hydroxyhexane; 1-Hexyl alcohol; Caproyl alcohol; Pentylcarbinol; Caproic alcohol; n-Hexan-1-ol; C6...
InChI Key
ZSIAUFGUXNUGDI-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
IUPAC Name
hexan-1-ol
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
7 6 0 0 0 0 0 0 0 0999 V2000
-3.8971 -0.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5981 0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2990 -0...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily KQT member 1/E member 1 (minK)
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 2700 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
−30 mV mV
Temperature
22–25 °C
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
residue I257 at S4–S5 linker
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
7
Rotatable Bonds
4
logP
1.559
Complexity
31.2278
TPSA (Ų)
20.23
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
0