| General Property |
| Molceule ID (DB) | EGIN0000535 |
| Inhibitor Class | Quercetin |
| Molecule Name in Refrence Article | 3f compound |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl (2S)-2-acetamido-4-methylpentanoate |
| Formula | C23H23NO9 |
| Mass | 457.43 |
| Exact Mass | 457.1372813 |
| Composition | C (60.39%), H (5.07%), N (3.06%), O (31.48%) |
| Atom Count | 56 |
| PI | 2.62 |
| Smiles | c12c(c(cc(c1)O)O)c(=O)c(c(o2)c1ccc(c(c1)O)O)OC(=O)[C@@H](NC(=O)C)CC(C)C |
| InChI | 1S/C23H23NO9/c1-10(2)6-14(24-11(3)25)23(31)33-22-20(30)19-17(29)8-13(26)9-18(19)32-21(22)12-4-5-15(2
7)16(28)7-12/h4-5,7-10,14,26-29H,6H2,1-3H3,(H,24,25)/t14-/m0/s1 |
| InChIKey | ALSFDKWGHNLCFB-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 | 24626198 |
| ChEMBL Link | CHEMBL561492 |
