Bioactive Compound Details
| BioID | bio805 |
|---|---|
| Name | PANDAROSIDE C |
| ChEMBL ID | CHEMBL1214514 |
| Molecular Formula | C39H60O15 |
| Molecular Weight | 768.89 |
| Molecular Weight (Monoisotopic) | 768.3932 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Pandaroside C |
| Smiles | CC(C)CC(=O)C[C@@H](C)C1=C(O)C(=O)[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C |
| Inchi | InChI=1S/C39H60O15/c1-16(2)12-19(41)13-17(3)24-27(43)28(44)25-21-7-6-18-14-20(8-10-38(18,4)22(21)9-11-39(24,25)5)51-37-34(31(47)30(46)33(53-37)35(49)50)54-36-32(48)29(45)26(42)23(15-40)52-36/h16-18,20-23,25-26,29-34,36-37,40,42-43,45-48H,6-15H2,1-5H3,(H,49,50)/t17-,18+,20+,21-,22+,23-,25+,26-,29+,30+,31+,32-,33+,34-,36+,37-,38+,39-/m1/s1 |
| Inchi Key | NJQZTTWLTPKJRF-DPCHOMEHSA-N |
| Molecular Species | ACID |
| Targets | 8.0 |
| Bioactivities | 8.0 |
| Np Likeness Score | 2.37 |
| Records Key | ['15'] |
| Records Name | ['pandaroside C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
