General Property |
Molceule ID (DB) | EGIN0005084 |
Inhibitor Class | Curcumin |
Molecule Name in Refrence Article | I13 |
IUPAC Name | (2E,6E)â€2â€[(3,4â€dihydroxyphenyl)methylidene]â€6â€[(3,5â€dimethoxyphenyl)methylidene]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(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C1[H])=C1/C(=O)/C(=C([H])C2=C([H])C([H])=C([H])C([H])=C2OC([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H] |
InChI | 1S/C23H24O4/c1-25-20-12-16(13-21(15-20)26-2)11-18-8-6-9-19(23(18)24)14-17-7-4-5-10-22(17)27-3/h4-5,7
,10-15H,6,8-9H2,1-3H3/b18-11+,19-14+ |
InChIKey | UFXSXKGMRKSRAK-MMOYSQFZSA-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 |
71508690
|
Drug Bank Link | - |
ChemSpider Link | 29394843 |
ChEMBL Link | CHEMBL2316159 |