| General Property |
| Molceule ID (DB) | EGIN0004414 |
| Inhibitor Class | Unknown |
| Molecule Name in Refrence Article | Cochliobolic acid (1) |
| IUPAC Name | (2R,3R,5S)-3-hydroxy-5-[(1E,3E,5E,7E,9E,11E,15E,17R)-17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl]oxolane-2-carboxylic acid |
| Formula | C25H30O6 |
| Mass | 426.5021 |
| Exact Mass | 426.2042387 |
| Composition | C (70.4%), H (7.09%), O (22.51%) |
| Atom Count | 61 |
| PI | 0.28 |
| Smiles | CC[C@H](/C=C/C(=O)C(=O)/C=C/C=C/C=C/C=C/C=C/C=C/[C@H]1O[C@H]([C@@H](C1)O)C(=O)O)C |
| InChI | 1S/C25H30O6/c1-3-19(2)16-17-22(27)21(26)15-13-11-9-7-5-4-6-8-10-12-14-20-18-23(28)24(31-20)25(29)30/
h4-17,19-20,23-24,28H,3,18H2,1-2H3,(H,29,30)/b6-4+,7-5+,10-8+,11-9+,14-12+,15-13+,17-16+/t19-,20-,23
-,24-/m1/s1 |
| InChIKey | UWFRQOWLUPERFN-MRHYXYNBSA-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 | 9014347 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 4952792 8246655 |
| ChEMBL Link | - |
