Molecular Details
DICL_CP_0436901
- [(1S,2S,6S,10S,11R,13S,14R,15R)-1,6,14-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0436901
PubChem CID
Molecular Formula
C30H46O7 Molecular Weight
518.691 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
YJFFPVQHOKPCRV-JQRZRIHSSA-N
InChI
InChI=1S/C30H46O7/c1-6-7-8-9-10-11-12-13-23(32)37-30-24(27(30,4)5)21-15-20(17-31)16-28(35)22(14-18(2...
IUPAC Name
[(1S,2S,6S,10S,11R,13S,14R,15R)-1,6,14-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate
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
83 86 0 0 0 0 0 0 0 0999 V2000
9.0875 1.5735 2.3816 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7253 1.3749 1.7223 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8340 1.457...
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: 450 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
37
Rotatable Bonds
10
logP
3.6217
Complexity
139.3042
TPSA (Ų)
124.29
H-Bond Donors
4
H-Bond Acceptors
7
Ring Count
4