Bioactive Compound Details
| BioID | bio169 |
|---|---|
| Name | ZANHASAPONIN C |
| ChEMBL ID | CHEMBL506739 |
| Molecular Formula | C58H90O29 |
| Molecular Weight | 1251.33 |
| Molecular Weight (Monoisotopic) | 1250.5568 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Zanhasaponin C |
| Smiles | C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(C(=O)O)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)O[C@@H](C)[C@H](O)[C@H]2O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O |
| Inchi | InChI=1S/C58H90O29/c1-20-30(63)34(67)42(84-47-39(72)40(26(61)19-79-47)82-46-37(70)32(65)25(60)18-78-46)49(80-20)85-43-35(68)31(64)21(2)81-50(43)87-52(77)58-14-13-53(3,4)15-23(58)22-9-10-27-54(5)16-24(59)44(86-48-38(71)33(66)36(69)41(83-48)45(73)74)57(8,51(75)76)28(54)11-12-55(27,6)56(22,7)17-29(58)62/h9,20-21,23-44,46-50,59-72H,10-19H2,1-8H3,(H,73,74)(H,75,76)/t20-,21-,23-,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36-,37+,38+,39+,40-,41-,42+,43+,44-,46-,47-,48-,49-,50-,54+,55+,56+,57-,58+/m0/s1 |
| Inchi Key | DPBXIHJKNCYHRH-QDKXBJSSSA-N |
| Molecular Species | None |
| Targets | 2.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | None |
| Records Key | ['3', '3'] |
| Records Name | ['zanhasaponin C', '3-O-beta-D-glucuronopyranosyl-2beta,16alpha-dihydroxyolean-12-ene-23,28-dioc acid 28-O-beta-D-xylopyranosyl(1->3)-beta-d-xylopyranosyl(1->2)-alpha-L-rhamnopyranosyl(1->2)-alpha-L-rhamnopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
