| General Property |
| Molceule ID (DB) | EGIN0003881 |
| Inhibitor Class | Anthraquinone |
| Molecule Name in Refrence Article | 7 compound |
| IUPAC Name | 1,2,3,6,8-pentahydroxy-7-[(1R)-1-methoxyethyl]-9,10-dihydroanthracene-9,10-dione |
| Formula | C17H14O8 |
| Mass | 346.2883 |
| Exact Mass | 346.0688674 |
| Composition | C (58.96%), H (4.07%), O (36.96%) |
| Atom Count | 39 |
| PI | 1.42 |
| Smiles | c1(c(cc2c(c1O)C(=O)c1c(C2=O)cc(c(c1O)[C@@H](C)OC)O)O)O |
| InChI | 1S/C17H14O8/c1-5(25-2)10-8(18)3-6-11(15(10)22)16(23)12-7(13(6)20)4-9(19)14(21)17(12)24/h3-5,18-19,21
-22,24H,1-2H3/t5-/m1/s1 |
| InChIKey | VNAWZSWHDQAJAB-RXMQYKEDSA-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 | 10869191 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | CDK4/cyclin-D1 | PKC epsilon | ALL |
| Pub Chem Link |
10759989
|
| Drug Bank Link | - |
| ChemSpider Link | 8935308 |
| ChEMBL Link | CHEMBL498249 |
