Bioactive Compound Details
| BioID | bio642 |
|---|---|
| Name | CYNARASAPONIN C |
| ChEMBL ID | CHEMBL500005 |
| Molecular Formula | C42H66O15 |
| Molecular Weight | 810.97 |
| Molecular Weight (Monoisotopic) | 810.4402 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Cynarasaponin C |
| Smiles | C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[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]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12 |
| Inchi | InChI=1S/C42H66O15/c1-19-9-14-42(37(53)57-35-31(49)28(46)27(45)22(17-43)54-35)16-15-40(5)21(26(42)20(19)2)7-8-24-38(3)12-11-25(39(4,18-44)23(38)10-13-41(24,40)6)55-36-32(50)29(47)30(48)33(56-36)34(51)52/h7,19-20,22-33,35-36,43-50H,8-18H2,1-6H3,(H,51,52)/t19-,20+,22-,23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,33-,35+,36+,38+,39+,40-,41-,42+/m1/s1 |
| Inchi Key | UHQNVKKALWJDQL-ZIJXJSMDSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 2.58 |
| Records Key | ['5'] |
| Records Name | ['Cynarasaponin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
