General Property |
Molceule ID (DB) | EGIN0001260 |
Inhibitor Class | Chrysin |
Molecule Name in Refrence Article | 9 compound |
IUPAC Name | tetradecyl 2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetate |
Formula | C31H40O6 |
Mass | 508.6457 |
Exact Mass | 508.282489 |
Composition | C (73.2%), H (7.93%), O (18.87%) |
Atom Count | 77 |
PI | 1.82 |
Smiles | c12c(c(cc(c1)OCC(=O)OCCCCCCCCCCCCCC)O)c(=O)cc(o2)c1ccccc1 |
InChI | 1S/C31H40O6/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-35-30(34)23-36-25-20-26(32)31-27(33)22-28(37-29(31)21-
25)24-17-14-13-15-18-24/h13-15,17-18,20-22,32H,2-12,16,19,23H2,1H3 |
InChIKey | IBHLXNGSNVBLIQ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001260.png) | Structure Backbone | ![](./frame/f_EGIN0001260.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 |
46231686
|
Drug Bank Link | - |
ChemSpider Link | 24649486 |
ChEMBL Link | CHEMBL598306 |