General Property |
Molceule ID (DB) | EGIN0004134 |
Inhibitor Class | Homo-isoflavonoids |
Molecule Name in Refrence Article | 3 compound |
IUPAC Name | (3R,4S)-3-[(3,4-dihydroxyphenyl)methyl]-4-methoxy-3,4-dihydro-2H-1-benzopyran-3,7,8-triol |
Formula | C17H18O7 |
Mass | 334.3206 |
Exact Mass | 334.1052529 |
Composition | C (61.07%), H (5.43%), O (33.5%) |
Atom Count | 42 |
PI | 2.66 |
Smiles | c12c(c(ccc1[C@@H]([C@](CO2)(Cc1ccc(c(c1)O)O)O)OC)O)O |
InChI | 1S/C17H18O7/c1-23-16-10-3-5-12(19)14(21)15(10)24-8-17(16,22)7-9-2-4-11(18)13(20)6-9/h2-6,16,18-22H,7
-8H2,1H3/t16-,17+/m0/s1 |
InChIKey | ZWLRTODWEJCVRS-DLBZAZTESA-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 | FGFR2 | c-kit | c-Met | KDR | FGFR1 | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 24699547 |
ChEMBL Link | CHEMBL477769 |