General Property |
Molceule ID (DB) | EGIN0001254 |
Inhibitor Class | Chrysin |
Molecule Name in Refrence Article | 3 compound |
IUPAC Name | hexyl 2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetate |
Formula | C23H24O6 |
Mass | 396.4331 |
Exact Mass | 396.1572885 |
Composition | C (69.68%), H (6.1%), O (24.22%) |
Atom Count | 53 |
PI | 1.82 |
Smiles | c12c(c(cc(c1)OCC(=O)OCCCCCC)O)c(=O)cc(o2)c1ccccc1 |
InChI | 1S/C23H24O6/c1-2-3-4-8-11-27-22(26)15-28-17-12-18(24)23-19(25)14-20(29-21(23)13-17)16-9-6-5-7-10-16/
h5-7,9-10,12-14,24H,2-4,8,11,15H2,1H3 |
InChIKey | ROMGDNPTGDLHKM-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001254.png) | Structure Backbone | ![](./frame/f_EGIN0001254.png) |
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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 | 20056425 |
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 |
46231624
|
Drug Bank Link | - |
ChemSpider Link | 24644569 |
ChEMBL Link | CHEMBL591213 |