| General Property |
| Molceule ID (DB) | EGIN0000538 |
| Inhibitor Class | Quercetin |
| Molecule Name in Refrence Article | 3i compound |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-{[(tert-butoxy)carbonyl]amino}acetate |
| Formula | C22H21NO10 |
| Mass | 459.4028 |
| Exact Mass | 459.1165459 |
| Composition | C (57.52%), H (4.61%), N (3.05%), O (34.83%) |
| Atom Count | 54 |
| PI | No isoelectric point. |
| Smiles | c12c(c(cc(c1)O)O)c(=O)c(c(o2)c1ccc(c(c1)O)O)OC(=O)CNC(=O)OC(C)(C)C |
| InChI | 1S/C22H21NO10/c1-22(2,3)33-21(30)23-9-16(28)32-20-18(29)17-14(27)7-11(24)8-15(17)31-19(20)10-4-5-12(
25)13(26)6-10/h4-8,24-27H,9H2,1-3H3,(H,23,30) |
| InChIKey | DNLICNRXPVSIFQ-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 19041163 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Src | Src | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24629610 |
| ChEMBL Link | CHEMBL564008 |
