Bioactive Compound Details
| BioID | bio990 |
|---|---|
| Name | ANGUDRACANOSIDE C |
| ChEMBL ID | CHEMBL1224733 |
| Molecular Formula | C38H58O15S |
| Molecular Weight | 786.93 |
| Molecular Weight (Monoisotopic) | 786.3496 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Angudracanoside C |
| Smiles | C=C1CC[C@@]2(OC1)OC1C[C@H]3[C@@H]4[C@@H](O)C=C5C[C@@H](O)C[C@@H](O[C@@H]6OC[C@H](S(=O)(=O)O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C |
| Inchi | InChI=1S/C38H58O15S/c1-16-6-9-38(49-14-16)17(2)28-24(53-38)13-22-27-21(7-8-36(22,28)4)37(5)19(11-23(27)40)10-20(39)12-26(37)51-35-33(30(42)25(15-48-35)54(45,46)47)52-34-32(44)31(43)29(41)18(3)50-34/h11,17-18,20-35,39-44H,1,6-10,12-15H2,2-5H3,(H,45,46,47)/t17-,18-,20+,21-,22-,23-,24?,25-,26+,27+,28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38+/m0/s1 |
| Inchi Key | DLIWYIFJUVATMD-QJOHMXIBSA-N |
| Molecular Species | ACID |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 2.97 |
| Records Key | ['3'] |
| Records Name | ['Angudracanoside C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
