General Property |
Molceule ID (DB) | EGIN0001263 |
Inhibitor Class | Chrysin |
Molecule Name in Refrence Article | 12 compound |
IUPAC Name | icosyl 2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetate |
Formula | C37H52O6 |
Mass | 592.8052 |
Exact Mass | 592.3763894 |
Composition | C (74.96%), H (8.84%), O (16.19%) |
Atom Count | 95 |
PI | 1.82 |
Smiles | c12c(c(cc(c1)OCC(=O)OCCCCCCCCCCCCCCCCCCCC)O)c(=O)cc(o2)c1ccccc1 |
InChI | 1S/C37H52O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-41-36(40)29-42-31-26-32(38)37-33(39)
28-34(43-35(37)27-31)30-23-20-19-21-24-30/h19-21,23-24,26-28,38H,2-18,22,25,29H2,1H3 |
InChIKey | GIBKNSMHWJEAQM-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001263.png) | Structure Backbone | ![](./frame/f_EGIN0001263.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 |
46231743
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Drug Bank Link | - |
ChemSpider Link | 24644126 |
ChEMBL Link | CHEMBL591495 |