Molecular Details
DICL_CP_0409311
- [(E,5S)-5-[(1R,4aS,7E,11aR)-1-acetyloxy-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-4-yl]-5-acetyloxy-2-methylpent-2-enyl] acetate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0409311
PubChem CID
Molecular Formula
C26H36O7 Molecular Weight
460.567 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
DCZJIZRGTZFSQY-PFOMZQQNSA-N
InChI
InChI=1S/C26H36O7/c1-16-8-7-9-18(3)25-22(12-10-16)23(15-31-26(25)33-21(6)29)24(32-20(5)28)13-11-17(2...
IUPAC Name
[(E,5S)-5-[(1R,4aS,7E,11aR)-1-acetyloxy-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-4-yl]-5-acetyloxy-2-methylpent-2-enyl] acetate
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
69 70 0 0 0 0 0 0 0 0999 V2000
7.4366 0.1706 -2.6461 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0774 0.6556 -2.2799 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0885 -0.118...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily M member 7
Uniprot Accession Number
Function
Inhibitor
Species
Mus musculus (Mouse)
IC50
IC50: 16 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
33
Rotatable Bonds
7
logP
4.9298
Complexity
123.628
TPSA (Ų)
88.13
H-Bond Donors
0
H-Bond Acceptors
7
Ring Count
2