| General Property |
| Molceule ID (DB) | EGIN0003880 |
| Inhibitor Class | Anthraquinone |
| Molecule Name in Refrence Article | 6 compound |
| IUPAC Name | 1,3,6,8-tetrahydroxy-2-[(1R)-1-methoxyethyl]-9,10-dihydroanthracene-9,10-dione |
| Formula | C17H14O7 |
| Mass | 330.2889 |
| Exact Mass | 330.0739528 |
| Composition | C (61.82%), H (4.27%), O (33.91%) |
| Atom Count | 38 |
| PI | 1.58 |
| Smiles | c1c(cc2c(c1O)C(=O)c1c(C2=O)cc(c(c1O)[C@@H](C)OC)O)O |
| InChI | 1S/C17H14O7/c1-6(24-2)12-11(20)5-9-14(16(12)22)17(23)13-8(15(9)21)3-7(18)4-10(13)19/h3-6,18-20,22H,1
-2H3/t6-/m1/s1 |
| InChIKey | YUVCACNTQJHROF-ZCFIWIBFSA-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 |
10359253
|
| Drug Bank Link | - |
| ChemSpider Link | 8534702 |
| ChEMBL Link | CHEMBL498248 |
