| General Property |
| Molceule ID (DB) | EGIN0005085 |
| Inhibitor Class | Curcumin |
| Molecule Name in Refrence Article | I14 |
| IUPAC Name | (2E,6E)â€2â€[(3,5â€dimethoxyphenyl)methylidene]â€6â€[(2â€methoxyphenyl)methylidene]cyclohexanâ€1â€one |
| Formula | C22H22O4 |
| Mass | 350.4077 |
| Exact Mass | 350.151809192 |
| Composition | C (75.41%), H (6.33%), O (18.26%) |
| Atom Count | 48 |
| PI | 2.4 |
| Smiles | [H]OC1=C([H])C([H])=C(C([H])=C2C(=O)C(=C(/[H])C3=C([H])C(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C3[H])C([H])([H])C([H])([H])C2([H])[H])C([H])=C1[H] |
| InChI | 1S/C22H22O4/c1-25-20-12-16(13-21(14-20)26-2)11-18-5-3-4-17(22(18)24)10-15-6-8-19(23)9-7-15/h6-14,23H
,3-5H2,1-2H3/b17-10+,18-11+ |
| InChIKey | AGMCEFOYMFDQNT-ODPUSEOTSA-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 | 23245570 |
| 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 |
71508691
|
| Drug Bank Link | - |
| ChemSpider Link | 839564 |
| ChEMBL Link | CHEMBL140 |
