General Property |
Molceule ID (DB) | EGIN0005074 |
Inhibitor Class | Curcumin |
Molecule Name in Refrence Article | I3 |
IUPAC Name | (2E,6E)â€2â€[(3â€chlorophenyl)methylidene]â€6â€[(3,5â€dimethoxyphenyl)methylidene]cyclohexanâ€1â€one |
Formula | C22H21ClO3 |
Mass | 368.853 |
Exact Mass | 368.117922245 |
Composition | C (71.64%), H (5.74%), Cl (9.61%), O (13.01%) |
Atom Count | 47 |
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])=C2Cl)C([H])([H])C([H])([H])C1([H])[H] |
InChI | 1S/C22H21ClO3/c1-25-19-11-15(12-20(14-19)26-2)10-17-7-5-8-18(22(17)24)13-16-6-3-4-9-21(16)23/h3-4,6,
9-14H,5,7-8H2,1-2H3/b17-10+,18-13+ |
InChIKey | HTECUFCXSIPTNC-YAUBYZHOSA-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 |
71508609
|
Drug Bank Link | - |
ChemSpider Link | 29397730 |
ChEMBL Link | CHEMBL2316149 |