General Property |
Molceule ID (DB) | EGIN0004123 |
Inhibitor Class | Alternaria(Extract) |
Molecule Name in Refrence Article | 10 compound |
IUPAC Name | 2-hydroxy-6-[(4R)-4-hydroxy-2-methyl-5-oxocyclopent-1-en-1-yl]-4-methoxybenzoic acid |
Formula | C14H14O6 |
Mass | 278.2574 |
Exact Mass | 278.0790382 |
Composition | C (60.43%), H (5.07%), O (34.5%) |
Atom Count | 34 |
PI | No isoelectric point. |
Smiles | c1(cc(cc(c1C(=O)O)O)OC)C1=C(C[C@H](C1=O)O)C |
InChI | 1S/C14H14O6/c1-6-3-10(16)13(17)11(6)8-4-7(20-2)5-9(15)12(8)14(18)19/h4-5,10,15-16H,3H2,1-2H3,(H,18,1
9)/t10-/m1/s1 |
InChIKey | KZPGRZQYEBJXQJ-SNVBAGLBSA-N |
2D Structure | ![](./image/EGIN0004123.png) | Structure Backbone | ![](./frame/f_EGIN0004123.png) |
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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 | 18494522 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | ARK5 | Aurora A | Aurora B | B-RAF-VE | FLT3 | IGF1R | InsR | MET | SAK | SRC | VEGFR2 | VEGFR3 | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 24718261 |
ChEMBL Link | CHEMBL519395 |