Molecular Details
DICL_CP_0417962
- [(E,5S)-5-acetyloxy-5-[(1S,4S,6S,10R,11R)-11-acetyloxy-4-methyl-9-methylidene-5,12-dioxatricyclo[8.4.0.04,6]tetradec-13-en-14-yl]-2-methylpent-2-enyl] acetate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0417962
PubChem CID
Molecular Formula
C26H36O8 Molecular Weight
476.566 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
AQINEFJNQOSQIE-HFXGGMROSA-N
InChI
InChI=1S/C26H36O8/c1-15(13-30-17(3)27)7-9-22(32-18(4)28)21-14-31-25(33-19(5)29)24-16(2)8-10-23-26(6,...
IUPAC Name
[(E,5S)-5-acetyloxy-5-[(1S,4S,6S,10R,11R)-11-acetyloxy-4-methyl-9-methylidene-5,12-dioxatricyclo[8.4.0.04,6]tetradec-13-en-14-yl]-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
70 72 0 0 0 0 0 0 0 0999 V2000
7.9786 0.2865 -1.1395 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5198 0.6409 0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3702 0.991...
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: 33000 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
34
Rotatable Bonds
7
logP
4.141
Complexity
123.149
TPSA (Ų)
100.66
H-Bond Donors
0
H-Bond Acceptors
8
Ring Count
3