| Compound | 24-epibrassinolide |
| NPACT-Id | NPACT00085 |
| IUPAC | 2alpha,3alpha,22alpha,23alpha-Tetrahydroxy-24alpha-methyl-B-homo-7-oxa-5alpha-cholestan-6-one |
| Synonyms | - |
| PubChem Id | 115196 |
| Class | Steroids |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | BCL2 | BCL2L1 | BID | CASP3 | CCNB1 | CCND1 | CCNE1 | CDK2 | CDK4 | CDKN1A | CDKN1B | MDM2 | TP53 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | IXVMHGVQKLDRKH-KNBKMWSGSA-N |
| InChi | 1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1 |
| SMILES | O1C[C@H]2[C@H]3[C@@]([C@H](CC3)[C@@H]([C@@H](O)[C@H](O)[C@H](C(C)C)C)C)(CC[C@@H]2[C@@]2([C@H](C[C@H](O)[C@H](O)C2)C1=O)C)C |
|
SMART | [H]O[C@@]([H])([C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])OC(=O)[C@@]4([H])C([H])([H])[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])[H] |
| CAS No. | - |
|
Structure
Download | 
|
| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C023623 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, ChemMol, Hangzhou Trylead Chemical Technology, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |