| General Property |
| Molceule ID (DB) | EGIN0002635 |
| Inhibitor Class | Butyrolactone |
| Molecule Name in Refrence Article | butyrolactone 1 |
| IUPAC Name | methyl (2R)-4-hydroxy-2-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-3-(4-hydroxyphenyl)-5-oxo-2,5-dihydrofuran-2-carboxylate |
| Formula | C24H24O7 |
| Mass | 424.4432 |
| Exact Mass | 424.1522031 |
| Composition | C (67.91%), H (5.7%), O (26.39%) |
| Atom Count | 55 |
| PI | 3.42 |
| Smiles | c1cc(ccc1C1=C(C(=O)O[C@@]1(Cc1ccc(c(c1)CC=C(C)C)O)C(=O)OC)O)O |
| InChI | 1S/C24H24O7/c1-14(2)4-6-17-12-15(5-11-19(17)26)13-24(23(29)30-3)20(21(27)22(28)31-24)16-7-9-18(25)10
-8-16/h4-5,7-12,25-27H,6,13H2,1-3H3/t24-/m1/s1 |
| InChIKey | NGOLMNWQNHWEKU-XMMPIXPASA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 11063609 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | CDK4/Cyc | CDK2/CycE | PKC | PKA | CDK1/CycB1 | MAP | ALL |
| Pub Chem Link |
123740
|
| Drug Bank Link | - |
| ChemSpider Link | 110303 |
| ChEMBL Link | CHEMBL132481 |
