Molecular Details
DICL_CP_0417961
- [(E,5S)-5-[(1R,4aS,7E,10R,11aR)-1-acetyloxy-10-hydroxy-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_0417961
PubChem CID
Molecular Formula
C26H36O8 Molecular Weight
476.566 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
HZPBMZKVJYTDIC-YJMHAQLESA-N
InChI
InChI=1S/C26H36O8/c1-15-7-10-21-22(24(33-19(5)28)12-9-16(2)13-31-18(4)27)14-32-26(34-20(6)29)25(21)1...
IUPAC Name
[(E,5S)-5-[(1R,4aS,7E,10R,11aR)-1-acetyloxy-10-hydroxy-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
70 71 0 0 0 0 0 0 0 0999 V2000
7.7856 3.2133 -0.6878 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3051 1.8462 -0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6387 0.864...
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: 90 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
3.9006
Complexity
125.0178
TPSA (Ų)
108.36
H-Bond Donors
1
H-Bond Acceptors
8
Ring Count
2