| General Property |
| Molceule ID (DB) | EGIN0005083 |
| Inhibitor Class | Curcumin |
| Molecule Name in Refrence Article | I12 |
| IUPAC Name | (2E,6E)â€2â€[(3,5â€dimethoxyphenyl)methylidene]â€6â€[(3â€methoxyphenyl)methylidene]cyclohexanâ€1â€one |
| Formula | C22H22O5 |
| Mass | 366.4071 |
| Exact Mass | 366.146723814 |
| Composition | C (72.12%), H (6.05%), O (21.83%) |
| Atom Count | 49 |
| PI | 2.27 |
| 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])=C1O[H] |
| InChI | 1S/C22H22O5/c1-26-18-10-15(11-19(13-18)27-2)9-17-5-3-4-16(22(17)25)8-14-6-7-20(23)21(24)12-14/h6-13,
23-24H,3-5H2,1-2H3/b16-8+,17-9+ |
| InChIKey | NXLXNLATMMPUNC-GONBZBRSSA-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 |
71508689
|
| Drug Bank Link | - |
| ChemSpider Link | 29398648 |
| ChEMBL Link | CHEMBL2316158 |
