Bioactive Compound Details
| BioID | bio899 |
|---|---|
| Name | PANICULATUMOSIDE C |
| ChEMBL ID | CHEMBL486477 |
| Molecular Formula | C53H82O24 |
| Molecular Weight | 1103.22 |
| Molecular Weight (Monoisotopic) | 1102.5196 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | paniculatumoside C |
| Smiles | CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4C(=O)OC5CO[C@]6(C)OC=C(CC[C@@H]43)[C@H]56)C2)O[C@H](C)[C@H]1O[C@H]1C[C@H](O)[C@H](O[C@@H]2C[C@@H](OC)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1 |
| Inchi | InChI=1S/C53H82O24/c1-22-45(74-38-17-32(64-7)47(24(3)69-38)76-51-44(61)42(59)48(34(19-55)73-51)77-50-43(60)41(58)40(57)33(18-54)72-50)30(56)15-36(67-22)75-46-23(2)68-37(16-31(46)63-6)70-27-12-13-52(4)26(14-27)9-10-28-29(52)11-8-25-20-65-53(5)39(25)35(21-66-53)71-49(28)62/h9,20,22-24,27-48,50-51,54-61H,8,10-19,21H2,1-7H3/t22-,23-,24-,27+,28-,29+,30+,31-,32-,33-,34-,35?,36+,37+,38-,39-,40-,41+,42-,43-,44-,45-,46-,47-,48-,50+,51+,52+,53+/m1/s1 |
| Inchi Key | POVMHNXMNTUPDJ-DGNHSPILSA-N |
| Molecular Species | None |
| Targets | 13.0 |
| Bioactivities | 47.0 |
| Np Likeness Score | None |
| Records Key | ['3, paniculatumoside C'] |
| Records Name | ['glaucogenic C3-O-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-alpha-D-oleandropanyanosyl-(1->4)-beta-D-digitoxopyranosyl-(1->4)-beta-D-oleandropanyanoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
