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 | ![](./image/EGIN0002635.png) | Structure Backbone | ![](./frame/f_EGIN0002635.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 | 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 |