| General Property |
| Molceule ID (DB) | EGIN0000540 |
| Inhibitor Class | Quercetin |
| Molecule Name in Refrence Article | 3k compound |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl (2R,3R)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoate |
| Formula | C24H25NO11 |
| Mass | 503.4554 |
| Exact Mass | 503.1427606 |
| Composition | C (57.26%), H (5.01%), N (2.78%), O (34.96%) |
| Atom Count | 61 |
| PI | 1.73 |
| 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@@H](C)O |
| InChI | 1S/C24H25NO11/c1-10(26)18(25-23(33)36-24(2,3)4)22(32)35-21-19(31)17-15(30)8-12(27)9-16(17)34-20(21)1
1-5-6-13(28)14(29)7-11/h5-10,18,26-30H,1-4H3,(H,25,33)/t10-,18-/m1/s1 |
| InChIKey | QVLOHGHWEYOPHV-MLCYQJTMSA-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 | 24629572 24617784 |
| ChEMBL Link | CHEMBL563238 |
