Bioactive Compound Details
| BioID | bio1183 |
|---|---|
| Name | TSUGARIOSIDE C |
| ChEMBL ID | CHEMBL504086 |
| Molecular Formula | C38H58O8 |
| Molecular Weight | 642.87 |
| Molecular Weight (Monoisotopic) | 642.4132 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | tsugarioside C |
| Smiles | C=C(C)/C(C)=C\C[C@@H](C(=O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC3 |
| Inchi | InChI=1S/C38H58O8/c1-21(2)22(3)10-11-24(33(43)46-34-32(42)31(41)28(40)20-44-34)25-14-18-38(9)27-12-13-29-35(5,6)30(45-23(4)39)16-17-36(29,7)26(27)15-19-37(25,38)8/h10,24-25,28-32,34,40-42H,1,11-20H2,2-9H3/b22-10-/t24-,25-,28-,29+,30-,31+,32-,34+,36-,37-,38+/m1/s1 |
| Inchi Key | RJBCIJBIKBHZMX-MGAAYXLPSA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 2.9 |
| Records Key | ['3, tsugarioside C'] |
| Records Name | ['3alpha-acetoxy-(Z)-24-methyl-5alpha-lanosta-8,23,25-tr ien-21-oic acid ester beta-D-xyloside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
