General Property |
Molceule ID (DB) | EGIN0004351 |
Inhibitor Class | Isoflavone |
Molecule Name in Refrence Article | TECTORIGENIN |
IUPAC Name | 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one |
Formula | C16H12O6 |
Mass | 300.2629 |
Exact Mass | 300.0633881 |
Composition | C (64%), H (4.03%), O (31.97%) |
Atom Count | 34 |
PI | 1.46 |
Smiles | c1(c(c(c2c(c1)occ(c2=O)c1ccc(cc1)O)O)OC)O |
InChI | 1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3 |
InChIKey | OBBCRPUNCUPUOS-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 | 16441062 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
5281811
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Drug Bank Link | - |
ChemSpider Link | 4445122 |
ChEMBL Link | CHEMBL242740 |