Molecular Details
DICL_CP_0316216
- 1,8-dihydroxyanthracene-9,10-dione
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0316216
PubChem CID
Molecular Formula
C14H8O4 Molecular Weight
240.214 g/mol
Synonyms/Alias
[danthron; 1;8-Dihydroxyanthraqui; 117-10-2; Chrysazin; Dantron; Dorbane; Istizin; Antrapurol; Laxanthreen; Diaquone; Laxanorm; Altan; 1;8-Dihydroxyanthracene-9;10-dione; Laxipurin; Zwitsalax; Danivac...
InChI Key
QBPFLULOKWLNNW-UHFFFAOYSA-N
InChI
InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H
IUPAC Name
1,8-dihydroxyanthracene-9,10-dione
CAS Number
481-74-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
26 28 0 0 0 0 0 0 0 0999 V2000
-3.6158 1.0914 0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3850 1.7447 0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1934 1.012...
Experimental Data
Activity Data
Target Ion Channel
Cystic fibrosis transmembrane conductance regulator (Chloride channel)
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 50000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.3
Holding Potential
Not mention mV
Temperature
37 °C
Test Method
Patch-clamping
Test Species
Frt cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
18
Rotatable Bonds
0
logP
1.8732
Complexity
63.0786
TPSA (Ų)
74.6
H-Bond Donors
2
H-Bond Acceptors
4
Ring Count
3