General Property |
Molceule ID (DB) | EGIN0001259 |
Inhibitor Class | Chrysin |
Molecule Name in Refrence Article | 8 compound |
IUPAC Name | dodecyl 2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetate |
Formula | C29H36O6 |
Mass | 480.5925 |
Exact Mass | 480.2511889 |
Composition | C (72.48%), H (7.55%), O (19.97%) |
Atom Count | 71 |
PI | 1.82 |
Smiles | c12c(c(cc(c1)OCC(=O)OCCCCCCCCCCCC)O)c(=O)cc(o2)c1ccccc1 |
InChI | 1S/C29H36O6/c1-2-3-4-5-6-7-8-9-10-14-17-33-28(32)21-34-23-18-24(30)29-25(31)20-26(35-27(29)19-23)22-
15-12-11-13-16-22/h11-13,15-16,18-20,30H,2-10,14,17,21H2,1H3 |
InChIKey | BYKPOTXMKFGXPG-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001259.png) | Structure Backbone | ![](./frame/f_EGIN0001259.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 |
46231685
|
Drug Bank Link | - |
ChemSpider Link | 24649485 |
ChEMBL Link | CHEMBL598305 |