Bioactive Compound Details
| BioID | bio905 |
|---|---|
| Name | OPERCULINOSIDE C |
| ChEMBL ID | CHEMBL1910828 |
| Molecular Formula | C42H72O14 |
| Molecular Weight | 801.02 |
| Molecular Weight (Monoisotopic) | 800.4922 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Operculinoside C |
| Smiles | CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2[C@H](O)C[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@]23C)O1 |
| Inchi | InChI=1S/C42H72O14/c1-37(2)24-11-15-40(6)25(10-9-20-28(21(45)17-41(20,40)7)42(8)16-13-27(56-42)38(3,4)51)39(24,5)14-12-26(37)54-36-34(32(49)30(47)23(19-44)53-36)55-35-33(50)31(48)29(46)22(18-43)52-35/h20-36,43-51H,9-19H2,1-8H3/t20-,21-,22-,23-,24+,25-,26+,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,39+,40-,41-,42+/m1/s1 |
| Inchi Key | JVYPBKOZNREJQJ-QKNOUBBRSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 2.67 |
| Records Key | ['3, Operculinoside C'] |
| Records Name | ['(20S,24S)-20,24-epoxy-3beta,16alpha,25-trihydroxydammarane 3-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
