General Property |
Molceule ID (DB) | EGIN0004170 |
Inhibitor Class | Anthraquinone |
Molecule Name in Refrence Article | 1 compound |
IUPAC Name | 1,2,8-trihydroxy-6-methoxy-3-methyl-9,10-dihydroanthracene-9,10-dione |
Formula | C16H12O6 |
Mass | 300.2629 |
Exact Mass | 300.0633881 |
Composition | C (64%), H (4.03%), O (31.97%) |
Atom Count | 34 |
PI | 1.99 |
Smiles | c1(cc(O)c2c(c1)C(=O)c1c(C2=O)c(c(c(c1)C)O)O)OC |
InChI | 1S/C16H12O6/c1-6-3-8-12(16(21)13(6)18)15(20)11-9(14(8)19)4-7(22-2)5-10(11)17/h3-5,17-18,21H,1-2H3 |
InChIKey | IOPGGNYCFGEWPF-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 | CDK4/CycD1 | COT | FLT3 | IGF1R | InsR | MET | SAK | SRC | TIE2 | VEGFR2 | VEGFR3 | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 154505 |
ChEMBL Link | CHEMBL556684 |