Molecular Details
DICL_CP_0357737
- [(E)-3-[(1S,4S,6S,10R,11S,12R)-14-formyl-11-hydroxy-4-methyl-9-methylidene-5-oxatricyclo[8.4.0.04,6]tetradec-13-en-12-yl]-2-methylprop-2-enyl] acetate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0357737
PubChem CID
Molecular Formula
C22H30O5 Molecular Weight
374.477 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
IPEGEQFPPKOGCW-FVXAJHPBSA-N
InChI
InChI=1S/C22H30O5/c1-13(12-26-15(3)24)9-16-10-17(11-23)18-7-8-22(4)19(27-22)6-5-14(2)20(18)21(16)25/...
IUPAC Name
[(E)-3-[(1S,4S,6S,10R,11S,12R)-14-formyl-11-hydroxy-4-methyl-9-methylidene-5-oxatricyclo[8.4.0.04,6]tetradec-13-en-12-yl]-2-methylprop-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
57 59 0 0 0 0 0 0 0 0999 V2000
7.4347 0.1800 1.3797 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1799 -0.5495 1.0393 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2882 -0.707...
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: >150000 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
27
Rotatable Bonds
4
logP
3.1319
Complexity
101.8998
TPSA (Ų)
76.13
H-Bond Donors
1
H-Bond Acceptors
5
Ring Count
3