Bioactive Compound Details
| BioID | bio161 |
|---|---|
| Name | DIOSBULBISIDE C |
| ChEMBL ID | CHEMBL1076249 |
| Molecular Formula | C45H70O17 |
| Molecular Weight | 883.04 |
| Molecular Weight (Monoisotopic) | 882.4613 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Diosbulbiside C |
| Smiles | C/C(C(=O)CC[C@@H](C)CO)=C1/C(=O)C[C@H]2[C@@H]3CCC4=C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C |
| Inchi | InChI=1S/C45H70O17/c1-19(17-46)7-10-28(48)20(2)31-29(49)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)59-43-40(62-42-38(56)36(54)33(51)22(4)58-42)39(34(52)30(18-47)60-43)61-41-37(55)35(53)32(50)21(3)57-41/h15,19,21-22,24-27,30,32-43,46-47,50-56H,7-14,16-18H2,1-6H3/b31-20+/t19-,21+,22+,24+,25-,26+,27+,30-,32+,33+,34-,35-,36-,37-,38-,39+,40-,41+,42+,43-,44+,45+/m1/s1 |
| Inchi Key | DHUABUPXKCFGRK-WKMOWDAYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.92 |
| Records Key | ['7, Diosbulbiside C'] |
| Records Name | ['(25R)-26-hydroxycholesta-5,17-diene-16,22-dione-3beta-yl-O-alpha-L-rhamnopyranosyl-(1->3)-[alpha-L-rhamnopyranosyl-(1->2)]-beta-D-glucopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
