Bioactive Compound Details
| BioID | bio291 |
|---|---|
| Name | POLYPHILLIN C |
| ChEMBL ID | CHEMBL395646 |
| Molecular Formula | C39H62O12 |
| Molecular Weight | 722.91 |
| Molecular Weight (Monoisotopic) | 722.4241 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Polyphillin C|Polyphyllin C |
| Smiles | C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C |
| Inchi | InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(45)34(30(42)27(16-40)49-36)50-35-32(44)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36-,37+,38+,39-/m1/s1 |
| Inchi Key | OJCPWEBMROBPTK-GTCMQMDYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 10.0 |
| Bioactivities | 11.0 |
| Np Likeness Score | 2.9 |
| Records Key | ['Polyphyllin C', '5'] |
| Records Name | ['Polyphyllin C', 'polyphillin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
