| General Property |
| Molceule ID (DB) | EGIN0000541 |
| Inhibitor Class | Quercetin |
| Molecule Name in Refrence Article | 3l compound |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoate |
| Formula | C31H28N2O10 |
| Mass | 588.5614 |
| Exact Mass | 588.1743951 |
| Composition | C (63.26%), H (4.8%), N (4.76%), O (27.18%) |
| Atom Count | 71 |
| 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)Cc1c[nH]c2c1cccc2 |
| InChI | 1S/C31H28N2O10/c1-31(2,3)43-30(40)33-20(10-16-14-32-19-7-5-4-6-18(16)19)29(39)42-28-26(38)25-23(37)1
2-17(34)13-24(25)41-27(28)15-8-9-21(35)22(36)11-15/h4-9,11-14,20,32,34-37H,10H2,1-3H3,(H,33,40)/t20-
/m0/s1 |
| InChIKey | VXSABCCPWGHRDB-FQEVSTJZSA-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 | 24619413 |
| ChEMBL Link | CHEMBL553645 |
