Molecular Details
DICL_CP_0350742
- 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-pentylbenzoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0350742
PubChem CID
Molecular Formula
C22H32O4 Molecular Weight
360.494 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
SEEZIOZEUUMJME-FOWTUZBSSA-N
InChI
InChI=1S/C22H32O4/c1-5-6-7-11-17-14-19(23)18(21(24)20(17)22(25)26)13-12-16(4)10-8-9-15(2)3/h9,12,14,...
IUPAC Name
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-pentylbenzoic acid
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
58 58 0 0 0 0 0 0 0 0999 V2000
7.9414 0.3534 -1.2832 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7697 1.1127 -0.6597 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4072 0.484...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily M member 7
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
Not mention
Holding Potential
Not specified
Temperature
37 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay (Cation-imaging assay)
Test Species
HEK-293 cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
26
Rotatable Bonds
10
logP
5.7639
Complexity
106.0859
TPSA (Ų)
77.76
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
1