General Property |
Molceule ID (DB) | EGIN0004136 |
Inhibitor Class | Homo-isoflavonoids |
Molecule Name in Refrence Article | HEMATOXYLENE |
IUPAC Name | 3-[(3,4-dihydroxyphenyl)methyl]-2H-chromene-7,8-diol |
Formula | C16H14O5 |
Mass | 286.2794 |
Exact Mass | 286.0841236 |
Composition | C (67.13%), H (4.93%), O (27.94%) |
Atom Count | 35 |
PI | 2.03 |
Smiles | c12c(c(ccc1C=C(CO2)Cc1ccc(c(c1)O)O)O)O |
InChI | 1S/C16H14O5/c17-12-3-1-9(7-14(12)19)5-10-6-11-2-4-13(18)15(20)16(11)21-8-10/h1-4,6-7,17-20H,5,8H2 |
InChIKey | YXQXLHSRJUFMFD-UHFFFAOYSA-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 | 18610999 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | FGFR2 | c-kit | KDR | c-Src | c-Met | FGFR1 | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 24699339 |
ChEMBL Link | CHEMBL477560 |