Molecular Details
DICL_CP_0321305
- 4,9-diethoxyfuro[3,2-g]chromen-7-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0321305
PubChem CID
Molecular Formula
C15H14O5 Molecular Weight
274.272 g/mol
Synonyms/Alias
[5;8-Diethoxypsoralen; CHEMBL342911; 4;9-diethoxyfuro[3;2-g]chromen-7-one; CHEBI:34780; H37; C13767; AC1LCVHK; SCHEMBL3014054; CHEBI:333851; BDBM50067881; 4;9-Diethoxy-furo[3;2-g]chromen-7-one; Q27116...
InChI Key
XZJRLHJHYQCJTH-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O5/c1-3-17-12-9-5-6-11(16)20-14(9)15(18-4-2)13-10(12)7-8-19-13/h5-8H,3-4H2,1-2H3
IUPAC Name
4,9-diethoxyfuro[3,2-g]chromen-7-one
CAS Number
14348-21-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
34 36 0 0 0 0 0 0 0 0999 V2000
3.9754 -0.8137 0.5235 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6746 -0.3117 -0.8835 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7211 0.748...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 2
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
Kd: 23000 nM
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Not mention
Test Method
Binding assay
Test Species
Jurkat T cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
20
Rotatable Bonds
4
logP
3.3366
Complexity
74.594
TPSA (Ų)
61.81
H-Bond Donors
0
H-Bond Acceptors
5
Ring Count
3