| General Property |
| Molceule ID (DB) | EGIN0000543 |
| Inhibitor Class | Quercetin |
| Molecule Name in Refrence Article | 3n compound |
| IUPAC Name | 1-tert-butyl 2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl] (2S)-pyrrolidine-1,2-dicarboxylate |
| Formula | C25H25NO10 |
| Mass | 499.4667 |
| Exact Mass | 499.147846 |
| Composition | C (60.12%), H (5.05%), N (2.8%), O (32.03%) |
| Atom Count | 61 |
| 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]1N(C(=O)OC(C)(C)C)CCC1 |
| InChI | 1S/C25H25NO10/c1-25(2,3)36-24(33)26-8-4-5-14(26)23(32)35-22-20(31)19-17(30)10-13(27)11-18(19)34-21(2
2)12-6-7-15(28)16(29)9-12/h6-7,9-11,14,27-30H,4-5,8H2,1-3H3/t14-/m0/s1 |
| InChIKey | HSRGVLUTAQAIBI-AWEZNQCLSA-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 | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24622784 |
| ChEMBL Link | CHEMBL554748 |
