Molecular Details
DICL_CP_0357736
- [(2E,4E)-5-[(1R,2S,5E,10R,11R,13S)-13-hydroxy-5-methyl-9-methylidene-12,14-dioxatricyclo[9.2.1.02,10]tetradec-5-en-1-yl]-2-methylpenta-2,4-dienyl] acetate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0357736
PubChem CID
Molecular Formula
C22H30O5 Molecular Weight
374.477 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
YWGHUQFHSNFZFN-FSIFMNSKSA-N
InChI
InChI=1S/C22H30O5/c1-14-7-5-9-16(3)19-18(11-10-14)22(21(24)26-20(19)27-22)12-6-8-15(2)13-25-17(4)23/...
IUPAC Name
[(2E,4E)-5-[(1R,2S,5E,10R,11R,13S)-13-hydroxy-5-methyl-9-methylidene-12,14-dioxatricyclo[9.2.1.02,10]tetradec-5-en-1-yl]-2-methylpenta-2,4-dienyl] 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
8.0108 -0.1009 -1.3009 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0155 -1.2090 -1.2378 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4136 -2.400...
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
3.8046
Complexity
102.5708
TPSA (Ų)
64.99
H-Bond Donors
1
H-Bond Acceptors
5
Ring Count
3