| General Property |
| Molceule ID (DB) | EGIN0003293 |
| Inhibitor Class | Quinone |
| Molecule Name in Refrence Article | 59c compound |
| IUPAC Name | (2R,3S)-2-{[(1Z)-2-[(1S,4aS,8aR)-decahydronaphthalen-1-ylmethyl]-3,6-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene]amino}-3-hydroxybutanoic acid |
| Formula | C21H29NO6 |
| Mass | 391.4581 |
| Exact Mass | 391.1994877 |
| Composition | C (64.43%), H (7.47%), N (3.58%), O (24.52%) |
| Atom Count | 57 |
| PI | 2.07 |
| Smiles | C1(=C(C(=O)C=C(/C/1=N[C@@H](C(=O)O)[C@@H](O)C)O)O)C[C@H]1[C@H]2[C@H](CCC1)CCCC2 |
| InChI | 1S/C21H29NO6/c1-11(23)18(21(27)28)22-19-15(20(26)17(25)10-16(19)24)9-13-7-4-6-12-5-2-3-8-14(12)13/h1
0-14,18,23-24,26H,2-9H2,1H3,(H,27,28)/b22-19-/t11-,12-,13-,14+,18+/m0/s1 |
| InChIKey | UGIUMAONBACZQP-SHHFMVBBSA-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 | 12825933 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | VEGFR2 | IGF1R | Tie | ALL |
| Pub Chem Link |
44330534
|
| Drug Bank Link | - |
| ChemSpider Link | 23186196 |
| ChEMBL Link | CHEMBL442388 |
