Molecular Details
DICL_CP_0313461
- 4-methoxyfuro[3,2-g]chromen-7-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0313461
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
-1.3246 2.7240 -0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8027 1.7580 0.7383 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4333 0.474...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 3
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 100000 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
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