Molecular Details
DICL_CP_0399429
- [(1S,2R,5R,6R,7S,8R,10R)-10-(2-hydroxyacetyl)oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-yl] (E)-3-phenylprop-2-enoate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0399429
PubChem CID
Molecular Formula
C26H34O6 Molecular Weight
442.552 g/mol
Synonyms/Alias
[Englerin A; 1094250-15-3; (-)-englerin A; CHEBI:72441; (1R;3aR;4S;5R;7R;8S;8aR)-5-(2-Hydroxyacetoxy)-7-isopropyl-1;4-dimethyldecahydro-4;7-epoxyazulen-8-yl cinnamate; Englerin-A; (1R;3aR;4S;5R;7R;8S;...
InChI Key
GACOFEKSDCOVMV-RRYXBOBMSA-N
InChI
InChI=1S/C26H34O6/c1-16(2)26-14-20(30-22(29)15-27)25(4,32-26)19-12-10-17(3)23(19)24(26)31-21(28)13-1...
IUPAC Name
[(1S,2R,5R,6R,7S,8R,10R)-10-(2-hydroxyacetyl)oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-yl] (E)-3-phenylprop-2-enoate
CAS Number
1094250-15-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
66 69 0 0 0 0 0 0 0 0999 V2000
0.4268 -3.7149 -0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0427 -2.9476 0.7662 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.0169 -3.710...
Experimental Data
Activity Data
Target Ion Channel
Short transient receptor potential channel 4
Uniprot Accession Number
Function
Activator
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 11 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.2
Holding Potential
−100 to 100 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
HEK293 cell (Homo sapiens embryonic kidney 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
32
Rotatable Bonds
6
logP
3.7654
Complexity
119.3758
TPSA (Ų)
82.06
H-Bond Donors
1
H-Bond Acceptors
6
Ring Count
4