Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005091
Inhibitor ClassCurcumin
Molecule Name in Refrence ArticleI20
IUPAC Name(2E,6E)‐2‐[(3,5‐dimethoxyphenyl)methylidene]‐6‐[(4‐methanesulfonylphenyl)methylidene]cyclohexan‐1‐one
FormulaC30H38O4
Mass462.6203
Exact Mass462.277009704
Composition C (77.89%), H (8.28%), O (13.83%)
Atom Count72
PI3.01
Smiles[H]OC1=C(C([H])=C(C([H])=C2C(=O)C(=C(/[H])C3=C([H])C(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C3[H])C([H])([H])C([H])([H])C2([H])[H])C([H])=C1C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
InChI1S/C30H38O4/c1-29(2,3)25-16-20(17-26(28(25)32)30(4,5)6)13-22-11-9-10-21(27(22)31)12-19-14-23(33-7)18
-24(15-19)34-8/h12-18,32H,9-11H2,1-8H3/b21-12+,22-13+
InChIKeySNYZTPOUJHDPAX-ADYPVIEZSA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference23245570
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 71508718
Drug Bank Link -
ChemSpider Link -
ChEMBL Link -
 
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