| General Property |
| Molceule ID (DB) | EGIN0000532 |
| Inhibitor Class | Quercetin |
| Molecule Name in Refrence Article | 3c compound |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-methylbutanoate |
| Formula | C25H27NO10 |
| Mass | 501.4826 |
| Exact Mass | 501.1634961 |
| Composition | C (59.88%), H (5.43%), N (2.79%), O (31.9%) |
| Atom Count | 63 |
| PI | No isoelectric point. |
| Smiles | c12c(c(cc(c1)O)O)c(=O)c(c(o2)c1ccc(c(c1)O)O)OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C |
| InChI | 1S/C25H27NO10/c1-11(2)19(26-24(33)36-25(3,4)5)23(32)35-22-20(31)18-16(30)9-13(27)10-17(18)34-21(22)1
2-6-7-14(28)15(29)8-12/h6-11,19,27-30H,1-5H3,(H,26,33)/t19-/m0/s1 |
| InChIKey | GREDBCKFHYLAPT-IBGZPJMESA-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 24627236 |
| ChEMBL Link | CHEMBL561091 |
