General Property |
Molceule ID (DB) | EGIN0000284 |
Inhibitor Class | Isoflavone |
Molecule Name in Refrence Article | 8 compound |
IUPAC Name | 3-(3-chlorophenyl)-5,7-dimethoxy-4H-chromen-4-one |
Formula | C17H13ClO4 |
Mass | 316.736 |
Exact Mass | 316.0502366 |
Composition | C (64.46%), H (4.14%), Cl (11.19%), O (20.21%) |
Atom Count | 35 |
PI | No isoelectric point. |
Smiles | c1c2c(c(cc1OC)OC)c(=O)c(co2)c1cc(ccc1)Cl |
InChI | 1S/C17H13ClO4/c1-20-12-7-14(21-2)16-15(8-12)22-9-13(17(16)19)10-4-3-5-11(18)6-10/h3-9H,1-2H3 |
InChIKey | USNKYQXLHXAMIJ-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 10090785 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | ALL |
Pub Chem Link |
689033
|
Drug Bank Link | - |
ChemSpider Link | 600416 |
ChEMBL Link | CHEMBL7981 |