| General Property |
| Molceule ID (DB) | EGIN0005090 |
| Inhibitor Class | Curcumin |
| Molecule Name in Refrence Article | I19 |
| IUPAC Name | (2E,6E)‐2,6‐bis[(3,5‐dimethoxyphenyl)methylidene]cyclohexan‐1‐one |
| Formula | C23H24O5S |
| Mass | 412.499 |
| Exact Mass | 412.134444568 |
| Composition | C (66.97%), H (5.86%), O (19.39%), S (7.77%) |
| Atom Count | 53 |
| PI | 7.62 |
| Smiles | [H]C(C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)C([H])([H])[H])=C1/C(=O)/C(=C([H])C2=C([H])C(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C2[H])C([H])([H])C([H])([H])C1([H])[H] |
| InChI | 1S/C23H24O5S/c1-27-20-13-17(14-21(15-20)28-2)12-19-6-4-5-18(23(19)24)11-16-7-9-22(10-8-16)29(3,25)26
/h7-15H,4-6H2,1-3H3/b18-11+,19-12+ |
| InChIKey | KCKFFUAUNCDZHZ-GDAWTGGTSA-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 |
71508717
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
