Molecular Details
DICL_CP_0383381
- [(E,5S)-5-[(1R,4aS,7E,11aR)-1-acetyloxy-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-4-yl]-5-hydroxy-2-methylpent-2-enyl] acetate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0383381
PubChem CID
Molecular Formula
C24H34O6 Molecular Weight
418.53 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
GRFYMBDLHHKUFB-GCAYLLJTSA-N
InChI
InChI=1S/C24H34O6/c1-15-7-6-8-17(3)23-20(11-9-15)21(14-29-24(23)30-19(5)26)22(27)12-10-16(2)13-28-18...
IUPAC Name
[(E,5S)-5-[(1R,4aS,7E,11aR)-1-acetyloxy-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-4-yl]-5-hydroxy-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
64 65 0 0 0 0 0 0 0 0999 V2000
5.3290 -3.1591 -0.8667 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3827 -2.3413 -0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1643 -2.282...
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: >130000 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
30
Rotatable Bonds
6
logP
4.359
Complexity
114.0808
TPSA (Ų)
82.06
H-Bond Donors
1
H-Bond Acceptors
6
Ring Count
2