Bioactive Compound Details
| BioID | bio992 |
|---|---|
| Name | MIMENGOSIDE C |
| ChEMBL ID | CHEMBL525972 |
| Molecular Formula | C54H88O22 |
| Molecular Weight | 1089.28 |
| Molecular Weight (Monoisotopic) | 1088.5767 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | mimengoside C |
| Smiles | C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@@H](O)[C@@H](C)O[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5C=CC5=C7CC(C)(C)CC[C@]7(CO)[C@@H](O)C[C@]56C)[C@]4(C)CO)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |
| Inchi | InChI=1S/C54H88O22/c1-23-33(60)36(63)39(66)45(69-23)74-42-28(20-56)72-47(41(68)38(42)65)75-43-34(61)24(2)70-48(44(43)76-46-40(67)37(64)35(62)27(19-55)71-46)73-32-12-13-50(5)29(51(32,6)21-57)11-14-52(7)30(50)10-9-25-26-17-49(3,4)15-16-54(26,22-58)31(59)18-53(25,52)8/h9-10,23-24,27-48,55-68H,11-22H2,1-8H3/t23-,24+,27+,28+,29+,30+,31-,32-,33-,34-,35+,36+,37-,38+,39+,40+,41+,42+,43-,44+,45-,46-,47-,48-,50-,51-,52+,53+,54+/m0/s1 |
| Inchi Key | NGKWNCMSRYLUCM-YFQSRCFUSA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | None |
| Records Key | ['1, mimengoside C'] |
| Records Name | ['3beta,16beta,23,28-tetrahydroxyoleana-11,13(18)-diene 3-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->2)]-beta-D-fucopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
