Bioactive Compound Details
| BioID | bio277 |
|---|---|
| Name | POLYGONATOSIDE C |
| ChEMBL ID | CHEMBL500538 |
| 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 | polygonatoside C |
| Smiles | C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5C[C@@H]6O[C@@]7(OC[C@H](CO)C[C@@H]7O)[C@@H](C)[C@@H]6[C@@]5(C)C(=O)C[C@@H]43)C2)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| Inchi | InChI=1S/C39H60O15/c1-16-28-24(54-39(16)27(43)9-18(13-40)15-49-39)11-23-21-6-5-19-10-20(7-8-37(19,3)22(21)12-26(42)38(23,28)4)51-35-33(48)31(46)34(17(2)50-35)53-36-32(47)30(45)29(44)25(14-41)52-36/h5,16-18,20-25,27-36,40-41,43-48H,6-15H2,1-4H3/t16-,17+,18-,20-,21+,22-,23-,24-,25+,27-,28-,29+,30-,31+,32+,33+,34-,35-,36-,37-,38+,39-/m0/s1 |
| Inchi Key | KMHFCAMFKGPAMV-MQSJDRGOSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 2.79 |
| Records Key | ['3, polygonatoside C'] |
| Records Name | ['(23S,25S)-3beta,23,27-trihydroxyspirost-5-en-2-one'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
