Bioactive Compound Details
| BioID | bio34 |
|---|---|
| Name | CATUNAROSIDE C |
| ChEMBL ID | CHEMBL2272410 |
| Molecular Formula | C54H88O23 |
| Molecular Weight | 1105.27 |
| Molecular Weight (Monoisotopic) | 1104.5716 |
| Type | Unknown |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | None |
| Smiles | C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7[C@H](O)C(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| Inchi | InChI=1S/C54H88O23/c1-22-31(58)35(62)38(65)44(70-22)76-42-41(75-45-39(66)36(63)32(59)24(19-55)71-45)34(61)26(21-57)73-47(42)74-29-12-13-51(6)27(50(29,4)5)11-14-53(8)28(51)10-9-23-30-43(68)49(2,3)15-17-54(30,18-16-52(23,53)7)48(69)77-46-40(67)37(64)33(60)25(20-56)72-46/h9,22,24-47,55-68H,10-21H2,1-8H3/t22-,24+,25+,26+,27-,28+,29-,30+,31-,32+,33+,34+,35+,36-,37-,38+,39+,40+,41-,42+,43-,44-,45-,46-,47-,51-,52+,53+,54-/m0/s1 |
| Inchi Key | SVGKMGNAYFERDG-ZSJIPZQCSA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | None |
| Records Key | ['3, catunaroside C'] |
| Records Name | ['3-O-alpha-L-rhamnopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosylsiaresinolicacid 28-O-beta-D-glucopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
