| General Property |
| Molceule ID (DB) | EGIN0000530 |
| Inhibitor Class | Quercetin |
| Molecule Name in Refrence Article | 3a compound |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanoate |
| Formula | C26H29NO10 |
| Mass | 515.5092 |
| Exact Mass | 515.1791462 |
| Composition | C (60.58%), H (5.67%), N (2.72%), O (31.04%) |
| Atom Count | 66 |
| 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)CC(C)C |
| InChI | 1S/C26H29NO10/c1-12(2)8-15(27-25(34)37-26(3,4)5)24(33)36-23-21(32)20-18(31)10-14(28)11-19(20)35-22(2
3)13-6-7-16(29)17(30)9-13/h6-7,9-12,15,28-31H,8H2,1-5H3,(H,27,34)/t15-/m0/s1 |
| InChIKey | BGUXPSFPYQBUCW-HNNXBMFYSA-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 | 24619111 |
| ChEMBL Link | CHEMBL551352 |
