Bioactive Compound Details
| BioID | bio1534 |
|---|---|
| Name | ABRUSOSIDE C |
| ChEMBL ID | CHEMBL503532 |
| Molecular Formula | C42H64O15 |
| Molecular Weight | 808.96 |
| Molecular Weight (Monoisotopic) | 808.4245 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Abrusoside C |
| Smiles | CC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5[C@](C)(C(=O)O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)OC1=O |
| Inchi | InChI=1S/C42H64O15/c1-19-6-7-22(53-34(19)50)20(2)21-10-12-39(4)25-8-9-26-40(5,37(51)52)27(11-13-41(26)18-42(25,41)15-14-38(21,39)3)56-36-33(31(48)29(46)24(17-44)55-36)57-35-32(49)30(47)28(45)23(16-43)54-35/h6,20-33,35-36,43-49H,7-18H2,1-5H3,(H,51,52)/t20-,21+,22-,23+,24+,25-,26-,27-,28+,29+,30-,31-,32+,33+,35-,36-,38+,39-,40-,41+,42-/m0/s1 |
| Inchi Key | NISBQKZXGCOUOU-UNEPLQKGSA-N |
| Molecular Species | ACID |
| Targets | 2.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 2.78 |
| Records Key | ['3, Abrusoside C'] |
| Records Name | ['abrusogenin-3-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
