Molecular Details
DICL_CP_0340241
- 4-(3-phenoxypropoxy)furo[3,2-g]chromen-7-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0340241
PubChem CID
Molecular Formula
C20H16O5 Molecular Weight
336.343 g/mol
Synonyms/Alias
[SCHEMBL2583446; CHEMBL3906400; 4-(3-Phenoxypropoxy)-7H-furo[3;2-g][1]benzopyran-7-on; JTXGRXTXJLZYMG-UHFFFAOYSA-N; DTXSID501209707; 870653-46-6; 4-(3-Phenoxypropoxy)-7H-furo[3;2-g][1]benzopyran-7-one...
InChI Key
JTXGRXTXJLZYMG-UHFFFAOYSA-N
InChI
InChI=1S/C20H16O5/c21-19-8-7-15-18(25-19)13-17-16(9-12-23-17)20(15)24-11-4-10-22-14-5-2-1-3-6-14/h1-...
IUPAC Name
4-(3-phenoxypropoxy)furo[3,2-g]chromen-7-one
CAS Number
870653-46-6
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
25 28 0 0 0 0 0 0 0 0999 V2000
-8.4810 0.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2699 1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8979 0...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 5
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 100 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.2
Holding Potential
−80 to 40 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
25
Rotatable Bonds
6
logP
4.3871
Complexity
94.305
TPSA (Ų)
61.81
H-Bond Donors
0
H-Bond Acceptors
5
Ring Count
4