| General Property |
| Molceule ID (DB) | EGIN0004171 |
| Inhibitor Class | Anthraquinone |
| Molecule Name in Refrence Article | MACROSPORIN |
| IUPAC Name | 1,7-dihydroxy-3-methoxy-6-methyl-9,10-dihydroanthracene-9,10-dione |
| Formula | C16H12O5 |
| Mass | 284.2635 |
| Exact Mass | 284.0684735 |
| Composition | C (67.6%), H (4.25%), O (28.14%) |
| Atom Count | 33 |
| PI | 1.79 |
| Smiles | c1(cc(c2c(c1)C(=O)c1c(C2=O)cc(c(c1)C)O)O)OC |
| InChI | 1S/C16H12O5/c1-7-3-9-10(6-12(7)17)16(20)14-11(15(9)19)4-8(21-2)5-13(14)18/h3-6,17-18H,1-2H3 |
| InChIKey | FKTPLNFTYJEAAB-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | 19271717 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Aurora A | Aurora B | B-RAF-VE | COT | FLT3 | InsR | MET | SAK | TIE2 | VEGFR2 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 140602 |
| ChEMBL Link | CHEMBL463054 |
