Molecular Details
DICL_CP_0308175
- 3,7-dimethyloct-6-en-1-ol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308175
PubChem CID
Molecular Formula
C10H20O Molecular Weight
156.269 g/mol
Synonyms/Alias
[Citronellol; 106-22-9; 3;7-Dimethyloct-6-en-1-ol; beta-Citronellol; DL-Citronellol; Cephrol; 6-Octen-1-ol; 3;7-dimethyl-; 3;7-DIMETHYL-6-OCTEN-1-OL; Elenol; 2;3-Dihydrogeraniol; Rodinol; (+/-)-beta-C...
InChI Key
QMVPMAAFGQKVCJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3
IUPAC Name
3,7-dimethyloct-6-en-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
31 30 0 0 0 0 0 0 0 0999 V2000
-0.8654 -0.8707 -1.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2813 0.5591 -0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0584 1.466...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 1
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
IC50: >100000 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
Not specified
Temperature
25 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Determined against the effect of capsaicin (0.1 μM)
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
11
Rotatable Bonds
5
logP
2.7513
Complexity
49.5318
TPSA (Ų)
20.23
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
0