Molecular Details
DICL_CP_0320498
- 7,8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0320498
PubChem CID
Molecular Formula
C15H10O5 Molecular Weight
270.24 g/mol
Synonyms/Alias
[7;8;4-trihydroxyflavone; 147711-26-0; 7;8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; 7;8-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; 4H-1-Benzopyran-4-one; 7;8-dihydroxy-2-(4-hydroxyphenyl)-; CH...
InChI Key
HJCIUNMVLYBADX-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(18)10-5-6-11(17)14(19)15(10)20-13/h1-7,16-17,19H
IUPAC Name
7,8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
30 32 0 0 0 0 0 0 0 0999 V2000
2.3344 0.5174 -0.8805 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7025 0.7489 -1.0514 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6321 0.120...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 3
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
31.45% Inhibition at 50 μM
Experimental Conditions
pH
Not mention
Holding Potential
Not mention mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
HEK293T cell (Homo sapiens embryonic kidney 293T 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
1
logP
2.5768
Complexity
72.9144
TPSA (Ų)
90.9
H-Bond Donors
3
H-Bond Acceptors
5
Ring Count
3