Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004143
Inhibitor ClassHomo-isoflavonoids
Molecule Name in Refrence ArticleSAPPANONE A
IUPAC Name(3E)-3-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one
FormulaC16H12O5
Mass284.2635
Exact Mass284.0684735
Composition C (67.6%), H (4.25%), O (28.14%)
Atom Count33
PI1.45
Smilesc12cc(ccc1C(=O)/C(=C/c1ccc(c(c1)O)O)/CO2)O
InChI1S/C16H12O5/c17-11-2-3-12-15(7-11)21-8-10(16(12)20)5-9-1-4-13(18)14(19)6-9/h1-7,17-19H,8H2/b10-5+
InChIKeyKVYZXXBTJHJISR-BJMVGYQFSA-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
Reference18610999
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesc-Src | c-kit | FGFR2 | KDR | c-Met | FGFR1 | ALL
Pub Chem Link 9817274
Drug Bank Link -
ChemSpider Link 7993024
ChEMBL Link CHEMBL249002
 
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