Molecular Details
DICL_CP_0339468
- 4-(4-phenylbutoxy)furo[3,2-g]chromen-7-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0339468
PubChem CID
Molecular Formula
C21H18O4 Molecular Weight
334.371 g/mol
Synonyms/Alias
[Psora-4; 724709-68-6; 5-(4-Phenylbutoxy)psoralen; 4-(4-phenylbutoxy)furo[3;2-g]chromen-7-one; 4-(4-Phenylbutoxy)-7H-furo[3;2-g]chromen-7-one; phenolphthalein diphosphate tetrasodium; CHEMBL1256851; N...
InChI Key
JJAWGNIQEOFURP-UHFFFAOYSA-N
InChI
InChI=1S/C21H18O4/c22-20-10-9-16-19(25-20)14-18-17(11-13-23-18)21(16)24-12-5-4-8-15-6-2-1-3-7-15/h1-...
IUPAC Name
4-(4-phenylbutoxy)furo[3,2-g]chromen-7-one
CAS Number
724709-68-6
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
43 46 0 0 0 0 0 0 0 0999 V2000
6.8560 0.2093 -0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8930 0.6346 -1.1341 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5404 0.643...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 3
Uniprot Accession Number
Function
Agonist
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
EC50: 2.9 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−80 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
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
4.9409
Complexity
97.131
TPSA (Ų)
52.58
H-Bond Donors
0
H-Bond Acceptors
4
Ring Count
4