General Property |
Molceule ID (DB) | EGIN0001257 |
Inhibitor Class | Chrysin |
Molecule Name in Refrence Article | 6 compound |
IUPAC Name | nonyl 2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetate |
Formula | C26H30O6 |
Mass | 438.5128 |
Exact Mass | 438.2042387 |
Composition | C (71.21%), H (6.9%), O (21.89%) |
Atom Count | 62 |
PI | 1.82 |
Smiles | c12c(c(cc(c1)OCC(=O)OCCCCCCCCC)O)c(=O)cc(o2)c1ccccc1 |
InChI | 1S/C26H30O6/c1-2-3-4-5-6-7-11-14-30-25(29)18-31-20-15-21(27)26-22(28)17-23(32-24(26)16-20)19-12-9-8-
10-13-19/h8-10,12-13,15-17,27H,2-7,11,14,18H2,1H3 |
InChIKey | NTHHJNPNFHMTQC-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 |
46231627
|
Drug Bank Link | - |
ChemSpider Link | 24649335 |
ChEMBL Link | CHEMBL599145 |