General Property |
Molceule ID (DB) | EGIN0004143 |
Inhibitor Class | Homo-isoflavonoids |
Molecule Name in Refrence Article | SAPPANONE A |
IUPAC Name | (3E)-3-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one |
Formula | C16H12O5 |
Mass | 284.2635 |
Exact Mass | 284.0684735 |
Composition | C (67.6%), H (4.25%), O (28.14%) |
Atom Count | 33 |
PI | 1.45 |
Smiles | c12cc(ccc1C(=O)/C(=C/c1ccc(c(c1)O)O)/CO2)O |
InChI | 1S/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+ |
InChIKey | KVYZXXBTJHJISR-BJMVGYQFSA-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 | c-Src | c-kit | FGFR2 | KDR | c-Met | FGFR1 | ALL |
Pub Chem Link |
9817274
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Drug Bank Link | - |
ChemSpider Link | 7993024 |
ChEMBL Link | CHEMBL249002 |