Molecular Details
DICL_CP_0402721
- [(1S,2S,6S,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0402721
PubChem CID
Molecular Formula
C24H32O8 Molecular Weight
448.512 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
OMHXSAMFEJVCPT-FGMNWAPQSA-N
InChI
InChI=1S/C24H32O8/c1-11-7-17-22(29,19(11)28)9-15(10-25)8-16-18-21(5,6)24(18,32-14(4)27)20(31-13(3)26...
IUPAC Name
[(1S,2S,6S,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-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
64 67 0 0 0 0 0 0 0 0999 V2000
0.9153 0.4691 3.0355 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3703 -0.3264 1.8247 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5515 -0.733...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 4
Uniprot Accession Number
Function
Agonist
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
EC50: >50000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−30 mV mV
Temperature
22–25 °C
Test Method
Patch-clamping
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
32
Rotatable Bonds
3
logP
1.0717
Complexity
111.9154
TPSA (Ų)
130.36
H-Bond Donors
3
H-Bond Acceptors
8
Ring Count
4