General Property |
Molceule ID (DB) | EGIN0001258 |
Inhibitor Class | Chrysin |
Molecule Name in Refrence Article | 7 compound |
IUPAC Name | decyl 2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetate |
Formula | C27H32O6 |
Mass | 452.5394 |
Exact Mass | 452.2198888 |
Composition | C (71.66%), H (7.13%), O (21.21%) |
Atom Count | 65 |
PI | 1.82 |
Smiles | c12c(c(cc(c1)OCC(=O)OCCCCCCCCCC)O)c(=O)cc(o2)c1ccccc1 |
InChI | 1S/C27H32O6/c1-2-3-4-5-6-7-8-12-15-31-26(30)19-32-21-16-22(28)27-23(29)18-24(33-25(27)17-21)20-13-10
-9-11-14-20/h9-11,13-14,16-18,28H,2-8,12,15,19H2,1H3 |
InChIKey | GGGQDTFIHHKBEH-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001258.png) | Structure Backbone | ![](./frame/f_EGIN0001258.png) |
|
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 |
46231684
|
Drug Bank Link | - |
ChemSpider Link | 24650900 |
ChEMBL Link | CHEMBL599728 |