Molecular Details
DICL_CP_0345938
- 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0345938
PubChem CID
Molecular Formula
C21H18O5 Molecular Weight
350.37 g/mol
Synonyms/Alias
[5-(4-Phenoxybutoxy)psoralen; 870653-45-5; PAP-1; 4-(4-phenoxybutoxy)-7H-furo[3;2-g]chromen-7-one; 4-(4-phenoxybutoxy)furo[3;2-g]chromen-7-one; SPS-4251; CHEMBL444449; 7H-Furo[3;2-g][1]benzopyran-7-on...
InChI Key
KINMYBBFQRSVLL-UHFFFAOYSA-N
InChI
InChI=1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/...
IUPAC Name
4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one
CAS Number
870653-45-5
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
26 29 0 0 0 0 0 0 0 0999 V2000
-9.2912 -1.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1761 0.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8233 0...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 2
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 250 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
26
Rotatable Bonds
7
logP
4.7772
Complexity
98.922
TPSA (Ų)
61.81
H-Bond Donors
0
H-Bond Acceptors
5
Ring Count
4