| General Property |
| Molceule ID (DB) | EGIN0000531 |
| Inhibitor Class | Quercetin |
| Molecule Name in Refrence Article | 3b compound |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl (2S)-2-{[(tert-butoxy)carbonyl]amino}propanoate |
| Formula | C23H23NO10 |
| Mass | 473.4294 |
| Exact Mass | 473.132196 |
| Composition | C (58.35%), H (4.9%), N (2.96%), O (33.79%) |
| Atom Count | 57 |
| 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)C |
| InChI | 1S/C23H23NO10/c1-10(24-22(31)34-23(2,3)4)21(30)33-20-18(29)17-15(28)8-12(25)9-16(17)32-19(20)11-5-6-
13(26)14(27)7-11/h5-10,25-28H,1-4H3,(H,24,31)/t10-/m0/s1 |
| InChIKey | DWQACXURLMKHAH-JTQLQIEISA-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 | 24618398 |
| ChEMBL Link | CHEMBL551890 |
