General Property |
Molceule ID (DB) | EGIN0005077 |
Inhibitor Class | Curcumin |
Molecule Name in Refrence Article | I6 |
IUPAC Name | (2E,6E)â€2â€[(2â€bromophenyl)methylidene]â€6â€[(3,5â€dimethoxyphenyl)methylidene]cyclohexanâ€1â€one |
Formula | C22H21BrO3 |
Mass | 413.304 |
Exact Mass | 412.067407185 |
Composition | C (63.93%), H (5.12%), Br (19.33%), O (11.61%) |
Atom Count | 47 |
PI | - |
Smiles | [H]C(C1=C([H])C([H])=C([H])C(Br)=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/C22H21BrO3/c1-25-20-12-16(13-21(14-20)26-2)10-18-7-4-6-17(22(18)24)9-15-5-3-8-19(23)11-15/h3,5,8-
14H,4,6-7H2,1-2H3/b17-9+,18-10+ |
InChIKey | HBSBXUHFMSIYDK-BEQMOXJMSA-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 |
71508644
|
Drug Bank Link | - |
ChemSpider Link | 29394801 |
ChEMBL Link | CHEMBL2316152 |