General Property |
Molceule ID (DB) | EGIN0005086 |
Inhibitor Class | Curcumin |
Molecule Name in Refrence Article | I15 |
IUPAC Name | (2E,6E)â€2â€[(3,5â€dimethoxyphenyl)methylidene]â€6â€[(4â€hydroxyphenyl)methylidene]cyclohexanâ€1â€one |
Formula | C24H27NO3 |
Mass | 377.4761 |
Exact Mass | 377.199093735 |
Composition | C (76.36%), H (7.21%), N (3.71%), O (12.72%) |
Atom Count | 55 |
PI | - |
Smiles | [H]C(C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])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/C24H27NO3/c1-25(2)21-10-8-17(9-11-21)12-19-6-5-7-20(24(19)26)13-18-14-22(27-3)16-23(15-18)28-4/h8
-16H,5-7H2,1-4H3/b19-12+,20-13+ |
InChIKey | MTWBBTPEPAYVAA-KVOOEGMKSA-N |
2D Structure | | Structure Backbone | |
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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 | 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 |
71508692
|
Drug Bank Link | - |
ChemSpider Link | 28670080 |
ChEMBL Link | CHEMBL2178352 |