Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004140
Inhibitor ClassHomo-isoflavonoids
Molecule Name in Refrence ArticleISOHEMATOXYLIN
IUPAC Name(1S,10S)-8-oxatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2,4,6,12,14,16-hexaene-5,6,10,15,16-pentol
FormulaC16H14O6
Mass302.2788
Exact Mass302.0790382
Composition C (63.57%), H (4.67%), O (31.76%)
Atom Count36
PI2.81
Smilesc12c(c(c(cc1)O)O)[C@H]1[C@@](C2)(COc2c1ccc(c2O)O)O
InChI1S/C16H14O6/c17-9-3-1-7-5-16(21)6-22-15-8(2-4-10(18)14(15)20)12(16)11(7)13(9)19/h1-4,12,17-21H,5-6H2
/t12-,16+/m0/s1
InChIKeyNQLVZUJHUSTZEF-BLLLJJGKSA-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
Find Similar Compounds
                                   

Reported activity against other enzymesFGFR2 | c-kit | KDR | c-Src | c-Met | FGFR1 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24687324
ChEMBL Link CHEMBL447506
 
TOP