General Property |
Molceule ID (DB) | EGIN0001262 |
Inhibitor Class | Chrysin |
Molecule Name in Refrence Article | 11 compound |
IUPAC Name | octadecyl 2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetate |
Formula | C35H48O6 |
Mass | 564.752 |
Exact Mass | 564.3450893 |
Composition | C (74.44%), H (8.57%), O (17%) |
Atom Count | 89 |
PI | 1.82 |
Smiles | c12c(c(cc(c1)OCC(=O)OCCCCCCCCCCCCCCCCCC)O)c(=O)cc(o2)c1ccccc1 |
InChI | 1S/C35H48O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-39-34(38)27-40-29-24-30(36)35-31(37)26-32(
41-33(35)25-29)28-21-18-17-19-22-28/h17-19,21-22,24-26,36H,2-16,20,23,27H2,1H3 |
InChIKey | WATYGSXMLVJBSJ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001262.png) | Structure Backbone | ![](./frame/f_EGIN0001262.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 |
46231742
|
Drug Bank Link | - |
ChemSpider Link | 24647002 |
ChEMBL Link | CHEMBL597096 |