Molecular Details
DICL_CP_0444462
- 3-[57-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-23-dihydrochromen-3-yl]-57-dihydroxy-2-(4-hydroxyphenyl)-23-dihydrochromen-4-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0444462
PubChem CID
Molecular Formula
C30H22O10 Molecular Weight
542.496 g/mol
Synonyms/Alias
[Chamaejasmin; Neochamaejasmin A; 90411-13-5; NSC687701; 3-[57-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-23-dihydrochromen-3-yl]-57-dihydroxy-2-(4-hydroxyphenyl)-23-dihydrochromen-4-one; NSC687700; CHEMBL46...
InChI Key
RNQBLQALVMHBKH-UHFFFAOYSA-N
InChI
InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)29-25(27(37)23-19(35)9-17(33)11-21(23)39-29)26-28(38)24-20(3...
IUPAC Name
3-[57-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-23-dihydrochromen-3-yl]-57-dihydroxy-2-(4-hydroxyphenyl)-23-dihydrochromen-4-one
CAS Number
90411-13-5
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
62 67 0 0 0 0 0 0 0 0999 V2000
2.8453 3.1572 -0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7829 3.9725 0.5477 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7460 3.410...
Experimental Data
Activity Data
Target Ion Channel
Voltage-gated potassium channel subfamily A member 7
Uniprot Accession Number
Function
Inactive
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
7.4% inhibition at 10μM
Experimental Conditions
pH
pH 7.3
Holding Potential
−80 mV mV
Temperature
25 °C
Test Method
Patch-clamping
Test Species
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
40
Rotatable Bonds
3
logP
4.4856
Complexity
138.1358
TPSA (Ų)
173.98
H-Bond Donors
6
H-Bond Acceptors
10
Ring Count
6