| General Property |
| Molceule ID (DB) | EGIN0000542 |
| Inhibitor Class | Quercetin |
| Molecule Name in Refrence Article | 3m compound |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-carbamoylpropanoate |
| Formula | C24H24N2O11 |
| Mass | 516.4542 |
| Exact Mass | 516.1380096 |
| Composition | C (55.81%), H (4.68%), N (5.42%), O (34.08%) |
| Atom Count | 61 |
| PI | 2.04 |
| 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)CC(=O)N |
| InChI | 1S/C24H24N2O11/c1-24(2,3)37-23(34)26-12(9-17(25)31)22(33)36-21-19(32)18-15(30)7-11(27)8-16(18)35-20(
21)10-4-5-13(28)14(29)6-10/h4-8,12,27-30H,9H2,1-3H3,(H2,25,31)(H,26,34)/t12-/m0/s1 |
| InChIKey | MWGFKZGIAGFVOI-LBPRGKRZSA-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 | 24612575 |
| ChEMBL Link | CHEMBL539739 |
