Molecular Details
DICL_CP_0390610
- [(4aS4bR6S6aS7R10aS10bR12aS)-78-diformyl-114a6a10b-pentamethyl-2344b5671010a111212a-dodecahydrochrysen-6-yl] acetate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0390610
PubChem CID
Molecular Formula
C27H40O4 Molecular Weight
428.613 g/mol
Synonyms/Alias
[Scalaradial; 53527-28-9; CHEBI:67731; (4aS4bR6S6aS7R10aS10bR12aS)-78-diformyl-114a6a10b-pentamethyl-12344a4b566a71010a10b111212a-hexadecahydrochrysen-6-yl acetate; 12-(acetyloxy)-448-trimethylhomoand...
InChI Key
ADWFEADZGIHPDE-QGERINELSA-N
InChI
InChI=1S/C27H40O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16...
IUPAC Name
[(4aS4bR6S6aS7R10aS10bR12aS)-78-diformyl-114a6a10b-pentamethyl-2344b5671010a111212a-dodecahydrochrysen-6-yl] acetate
CAS Number
53527-28-9
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
31 34 0 0 0 0 0 0 0 0999 V2000
-2.2577 -5.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3908 -3.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1028 -3...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily M member 2
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: 330 nM
EC50
N/A (Not available)
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
21−25 °C
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
31
Rotatable Bonds
3
logP
5.5373
Complexity
120.146
TPSA (Ų)
60.44
H-Bond Donors
0
H-Bond Acceptors
4
Ring Count
4