Bioactive Compound Details
| BioID | bio1094 |
|---|---|
| Name | BARRINGTOGENOL C |
| ChEMBL ID | CHEMBL487606 |
| Molecular Formula | C30H50O5 |
| Molecular Weight | 490.73 |
| Molecular Weight (Monoisotopic) | 490.3658 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Barringtogenol C |
| Smiles | CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O |
| Inchi | InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1 |
| Inchi Key | AYDKOFQQBHRXEW-AAUPIIFFSA-N |
| Molecular Species | NEUTRAL |
| Targets | 8.0 |
| Bioactivities | 8.0 |
| Np Likeness Score | 3.35 |
| Records Key | ['4', '33', '4'] |
| Records Name | ['barringtogenol-C', '3beta,16alpha,21beta,22alpha,28-Pentahydroxyolean-12-ene', 'barringtogenol C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
