| General Property |
| Molceule ID (DB) | EGIN0000544 |
| Inhibitor Class | Quercetin |
| Molecule Name in Refrence Article | 3o compound |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl (2S)-1-acetylpyrrolidine-2-carboxylate |
| Formula | C22H19NO9 |
| Mass | 441.3876 |
| Exact Mass | 441.1059812 |
| Composition | C (59.86%), H (4.34%), N (3.17%), O (32.62%) |
| Atom Count | 51 |
| PI | 2.64 |
| Smiles | c12c(c(cc(c1)O)O)c(=O)c(c(o2)c1ccc(c(c1)O)O)OC(=O)[C@H]1N(C(=O)C)CCC1 |
| InChI | 1S/C22H19NO9/c1-10(24)23-6-2-3-13(23)22(30)32-21-19(29)18-16(28)8-12(25)9-17(18)31-20(21)11-4-5-14(2
6)15(27)7-11/h4-5,7-9,13,25-28H,2-3,6H2,1H3/t13-/m0/s1 |
| InChIKey | ZXTZQBYIRDTCMF-ZDUSSCGKSA-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 | 24619329 |
| ChEMBL Link | CHEMBL551952 |
