| General Property |
| Molceule ID (DB) | EGIN0000536 |
| Inhibitor Class | Quercetin |
| Molecule Name in Refrence Article | 3g compound |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl (2S)-2-acetamido-3-phenylpropanoate |
| Formula | C26H21NO9 |
| Mass | 491.4462 |
| Exact Mass | 491.1216313 |
| Composition | C (63.54%), H (4.31%), N (2.85%), O (29.3%) |
| Atom Count | 57 |
| PI | 2.47 |
| Smiles | c12c(c(cc(c1)O)O)c(=O)c(c(o2)c1ccc(c(c1)O)O)OC(=O)[C@@H](NC(=O)C)Cc1ccccc1 |
| InChI | 1S/C26H21NO9/c1-13(28)27-17(9-14-5-3-2-4-6-14)26(34)36-25-23(33)22-20(32)11-16(29)12-21(22)35-24(25)
15-7-8-18(30)19(31)10-15/h2-8,10-12,17,29-32H,9H2,1H3,(H,27,28)/t17-/m0/s1 |
| InChIKey | XKGBUNYEHBIEOX-KRWDZBQOSA-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 | 24617358 |
| ChEMBL Link | CHEMBL549397 |
