General Property |
Molceule ID (DB) | EGIN0005089 |
Inhibitor Class | Curcumin |
Molecule Name in Refrence Article | I18 |
IUPAC Name | (2E,6E)â€2â€[(3,5â€dimethoxyphenyl)methylidene]â€6â€[(4â€methoxyphenyl)methylidene]cyclohexanâ€1â€one |
Formula | C24H26O5 |
Mass | 394.4602 |
Exact Mass | 394.178023942 |
Composition | C (73.08%), H (6.64%), O (20.28%) |
Atom Count | 55 |
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(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C2[H])C([H])([H])C([H])([H])C1([H])[H] |
InChI | 1S/C24H26O5/c1-26-20-10-16(11-21(14-20)27-2)8-18-6-5-7-19(24(18)25)9-17-12-22(28-3)15-23(13-17)29-4/
h8-15H,5-7H2,1-4H3/b18-8+,19-9+ |
InChIKey | LCTMHSXNDBNPAF-GCBPPVMSSA-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 |
71508695
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |