Bioactive Compound Details
| BioID | bio1790 |
|---|---|
| Name | GORDONOSIDE C |
| ChEMBL ID | CHEMBL540435 |
| Molecular Formula | C51H78O17 |
| Molecular Weight | 963.17 |
| Molecular Weight (Monoisotopic) | 962.5239 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | gordonoside C |
| Smiles | C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C\C)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C |
| Inchi | InChI=1S/C51H78O17/c1-12-24(3)42(61)67-39-40(68-43(62)25(4)13-2)51(23-52)27(20-46(39,5)6)26-14-15-30-48(9)18-17-32(47(7,8)29(48)16-19-49(30,10)50(26,11)21-31(51)54)64-45-36(58)37(35(57)38(66-45)41(59)60)65-44-34(56)33(55)28(53)22-63-44/h12-14,27-40,44-45,52-58H,15-23H2,1-11H3,(H,59,60)/b24-12-,25-13-/t27-,28-,29-,30+,31+,32-,33-,34+,35-,36+,37-,38-,39-,40-,44-,45+,48-,49+,50+,51-/m0/s1 |
| Inchi Key | QVFHHHDKLVZEKJ-SAWIQVRLSA-N |
| Molecular Species | ACID |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 2.71 |
| Records Key | ['3, gordonoside C'] |
| Records Name | ['3beta-O-[alpha-L-arabinopyranosyl(1->3)-beta-D-glucuronopyranosyl]-21beta,22alpha-diangeloyloxyolean-12-ene-16alpha,28-diol'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
