Molecular Details
DICL_CP_0308071
- (2E)-3,7-dimethylocta-2,6-dienal
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308071
PubChem CID
Molecular Formula
C10H16O Molecular Weight
152.237 g/mol
Synonyms/Alias
[Citral; GERANIAL; 5392-40-5; trans-Citral; (2E)-3;7-dimethylocta-2;6-dienal; 141-27-5; 3;7-dimethylocta-2;6-dienal; Citral a; geranialdehyde; alpha-Citral; (E)-Citral; geranal; Geranaldehyde; Lemsyn ...
InChI Key
WTEVQBCEXWBHNA-JXMROGBWSA-N
InChI
InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
IUPAC Name
(2E)-3,7-dimethylocta-2,6-dienal
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
27 26 0 0 0 0 0 0 0 0999 V2000
-4.0096 -0.1683 -0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6126 0.1686 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7524 -0.844...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily M member 8
Uniprot Accession Number
Function
Inactive
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
No effect
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
2.878
Complexity
48.486
TPSA (Ų)
17.07
H-Bond Donors
0
H-Bond Acceptors
1
Ring Count
0