Molecular Details
DICL_CP_0313464
- 4-methoxyfuro[3,2-g]chromen-7-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0313464
PubChem CID
Molecular Formula
C12H8O4 Molecular Weight
216.192 g/mol
Synonyms/Alias
[Bergapten; 5-Methoxypsoralen; 484-20-8; bergaptene; Heraclin; Majudin; 4-Methoxy-7H-furo[3;2-g]chromen-7-one; BERGAPTAN; Psoraderm; 5-Mop; O-Methylbergaptol; 5-Methoxy psoralen; 5-Methoxy-6;7-furanoc...
InChI Key
BGEBZHIAGXMEMV-UHFFFAOYSA-N
InChI
InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
IUPAC Name
4-methoxyfuro[3,2-g]chromen-7-one
CAS Number
484-20-8
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
24 26 0 0 0 0 0 0 0 0999 V2000
-2.1430 -2.1434 0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2970 -1.4201 -0.7623 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5492 -0.315...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 3
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: 101000 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
16
Rotatable Bonds
1
logP
2.5478
Complexity
58.808
TPSA (Ų)
52.58
H-Bond Donors
0
H-Bond Acceptors
4
Ring Count
3