Molecular Details
DICL_CP_0321316
- 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0321316
PubChem CID
Molecular Formula
C15H14O5 Molecular Weight
274.272 g/mol
Synonyms/Alias
[phloretin; 60-82-2; Dihydronaringenin; 3-(4-Hydroxyphenyl)-1-(2;4;6-trihydroxyphenyl)propan-1-one; Phloretol; 3-(4-Hydroxyphenyl)-1-(2;4;6-trihydroxyphenyl)-1-propa; 1-Propa; 3-(4-hydroxyphenyl)-1-(2...
InChI Key
VGEREEWJJVICBM-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20...
IUPAC Name
3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
CAS Number
480-18-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
34 35 0 0 0 0 0 0 0 0999 V2000
2.4563 0.9923 0.9299 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6714 1.6839 0.9474 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7952 1.148...
Experimental Data
Activity Data
Target Ion Channel
Aquaporin-3
Uniprot Accession Number
Function
Inactive
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
No effect
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
Not mention
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
CHO-FlpIn 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
2.3245
Complexity
72.1947
TPSA (Ų)
97.99
H-Bond Donors
4
H-Bond Acceptors
5
Ring Count
2