| General Property |
| Molceule ID (DB) | EGIN0000537 |
| Inhibitor Class | Quercetin |
| Molecule Name in Refrence Article | 3h compound |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanoate |
| Formula | C29H27NO10 |
| Mass | 549.5254 |
| Exact Mass | 549.1634961 |
| Composition | C (63.38%), H (4.95%), N (2.55%), O (29.11%) |
| Atom Count | 67 |
| 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)Cc1ccccc1 |
| InChI | 1S/C29H27NO10/c1-29(2,3)40-28(37)30-18(11-15-7-5-4-6-8-15)27(36)39-26-24(35)23-21(34)13-17(31)14-22(
23)38-25(26)16-9-10-19(32)20(33)12-16/h4-10,12-14,18,31-34H,11H2,1-3H3,(H,30,37)/t18-/m0/s1 |
| InChIKey | FPTSGAAACQGSOW-SFHVURJKSA-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 | 24621988 |
| ChEMBL Link | CHEMBL557882 |
