| General Property |
| Molceule ID (DB) | EGIN0003879 |
| Inhibitor Class | Anthraquinone |
| Molecule Name in Refrence Article | 5 compound |
| IUPAC Name | 1,3,6,8-tetrahydroxy-2-[(1R)-1-hydroxyethyl]-9,10-dihydroanthracene-9,10-dione |
| Formula | C16H12O7 |
| Mass | 316.2623 |
| Exact Mass | 316.0583027 |
| Composition | C (60.76%), H (3.82%), O (35.41%) |
| Atom Count | 35 |
| PI | 2.1 |
| Smiles | c1c(cc2c(c1O)C(=O)c1c(C2=O)cc(c(c1O)[C@@H](C)O)O)O |
| InChI | 1S/C16H12O7/c1-5(17)11-10(20)4-8-13(15(11)22)16(23)12-7(14(8)21)2-6(18)3-9(12)19/h2-5,17-20,22H,1H3/
t5-/m1/s1 |
| InChIKey | UAXWQASUOFZAIW-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 | PKC epsilon | CDK4/cyclin-D1 | ALL |
| Pub Chem Link |
10041429
|
| Drug Bank Link | - |
| ChemSpider Link | 8216993 |
| ChEMBL Link | CHEMBL524820 |
