Bioactive Compound Details
| BioID | bio1010 |
|---|---|
| Name | BRYONIOSIDE C |
| ChEMBL ID | CHEMBL454236 |
| Molecular Formula | C44H72O14 |
| Molecular Weight | 825.05 |
| Molecular Weight (Monoisotopic) | 824.4922 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | bryonioside C |
| Smiles | CC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O[C@H]3CC[C@@H]4C(=CC[C@@H]5[C@@]4(C)C(=O)C[C@]4(C)[C@@H]([C@H](C)CC[C@@H](O)C(C)(C)O)CC[C@@]54C)C3(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H]1C |
| Inchi | InChI=1S/C44H72O14/c1-21(11-15-29(47)41(6,7)53)24-17-18-42(8)28-14-12-25-26(44(28,10)30(48)19-43(24,42)9)13-16-31(40(25,4)5)57-39-37(33(50)32(49)27(20-45)56-39)58-38-35(52)34(51)36(22(2)54-38)55-23(3)46/h12,21-22,24,26-29,31-39,45,47,49-53H,11,13-20H2,1-10H3/t21-,22+,24-,26-,27-,28+,29-,31+,32-,33+,34+,35-,36+,37-,38+,39+,42+,43-,44+/m1/s1 |
| Inchi Key | UMAHJKNVOBUTJL-BBFQHCCVSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 7.0 |
| Np Likeness Score | 2.93 |
| Records Key | ['3, bryonioside C'] |
| Records Name | ['(24R)-3beta,24,25-trihydroxycucurbit-5-en-11-one-3-O-(4-O-acetyl-alpha-L-rhamnopyranosyl)-(1->2)-beta-D-glucopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
