Molecular Details
DICL_CP_0426094
- [(E,5S)-5-acetyloxy-5-[(1S,4S,6S,8R,10R,11R)-11-acetyloxy-8-hydroxy-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_0426094
PubChem CID
Molecular Formula
C26H36O9 Molecular Weight
492.565 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
VRCALMHTBUNHFD-JJMCLIEFSA-N
InChI
InChI=1S/C26H36O9/c1-14(12-31-16(3)27)7-8-22(33-17(4)28)20-13-32-25(34-18(5)29)24-15(2)21(30)11-23-2...
IUPAC Name
[(E,5S)-5-acetyloxy-5-[(1S,4S,6S,8R,10R,11R)-11-acetyloxy-8-hydroxy-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
71 73 0 0 0 0 0 0 0 0999 V2000
8.9685 -0.0058 -1.1847 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0376 0.0903 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3999 0.700...
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: 13000 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
35
Rotatable Bonds
7
logP
3.1118
Complexity
124.5388
TPSA (Ų)
120.89
H-Bond Donors
1
H-Bond Acceptors
9
Ring Count
3