General Property |
Molceule ID (DB) | EGIN0005088 |
Inhibitor Class | Curcumin |
Molecule Name in Refrence Article | I17 |
IUPAC Name | (2E,6R)â€2â€[(3,5â€dimethoxyphenyl)methylidene]â€6â€[(3â€hydroxyâ€4â€methoxyphenyl)methyl]cyclohexanâ€1â€one |
Formula | C23H24O4 |
Mass | 364.4343 |
Exact Mass | 364.167459256 |
Composition | C (75.8%), H (6.64%), O (17.56%) |
Atom Count | 51 |
PI | - |
Smiles | [H]C(C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[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/C23H24O4/c1-25-20-9-7-16(8-10-20)11-18-5-4-6-19(23(18)24)12-17-13-21(26-2)15-22(14-17)27-3/h7-15H
,4-6H2,1-3H3/b18-11+,19-12+ |
InChIKey | LTOWOGNRZKLJPH-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 |
71508694
|
Drug Bank Link | - |
ChemSpider Link | 28507199 |
ChEMBL Link | - |