General Property |
Molceule ID (DB) | EGIN0003880 |
Inhibitor Class | Anthraquinone |
Molecule Name in Refrence Article | 6 compound |
IUPAC Name | 1,3,6,8-tetrahydroxy-2-[(1R)-1-methoxyethyl]-9,10-dihydroanthracene-9,10-dione |
Formula | C17H14O7 |
Mass | 330.2889 |
Exact Mass | 330.0739528 |
Composition | C (61.82%), H (4.27%), O (33.91%) |
Atom Count | 38 |
PI | 1.58 |
Smiles | c1c(cc2c(c1O)C(=O)c1c(C2=O)cc(c(c1O)[C@@H](C)OC)O)O |
InChI | 1S/C17H14O7/c1-6(24-2)12-11(20)5-9-14(16(12)22)17(23)13-8(15(9)21)3-7(18)4-10(13)19/h3-6,18-20,22H,1
-2H3/t6-/m1/s1 |
InChIKey | YUVCACNTQJHROF-ZCFIWIBFSA-N |
2D Structure | ![](./image/EGIN0003880.png) | Structure Backbone | ![](./frame/f_EGIN0003880.png) |
|
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 | 10869191 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | CDK4/cyclin-D1 | PKC epsilon | ALL |
Pub Chem Link |
10359253
|
Drug Bank Link | - |
ChemSpider Link | 8534702 |
ChEMBL Link | CHEMBL498248 |