Molecular Details
DICL_CP_0308116
- 3,7-dimethylocta-1,6-dien-3-ol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308116
PubChem CID
Molecular Formula
C10H18O Molecular Weight
154.253 g/mol
Synonyms/Alias
[Linalool; 78-70-6; 3;7-Dimethylocta-1;6-dien-3-ol; Linalol; LINALYL ALCOHOL; 3;7-Dimethyl-1;6-octadien-3-ol; allo-Ocimenol; beta-Linalool; (+-)-Linalool; 1;6-Octadien-3-ol; 3;7-dimethyl-; p-Linalool;...
InChI Key
CDOSHBSSFJOMGT-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
IUPAC Name
3,7-dimethylocta-1,6-dien-3-ol
CAS Number
78-70-6
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
29 28 0 0 0 0 0 0 0 0999 V2000
2.5331 -0.2918 -1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6883 0.1313 0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6610 0.650...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily M member 8
Uniprot Accession Number
Function
Activator
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 6700000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.5
Holding Potential
Not specified
Temperature
37 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
11
Rotatable Bonds
4
logP
2.6698
Complexity
49.4858
TPSA (Ų)
20.23
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
0