Bioactive Compound Details
| BioID | bio1246 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL450240 |
| Molecular Formula | C35H56O6 |
| Molecular Weight | 572.83 |
| Molecular Weight (Monoisotopic) | 572.4077 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Barringtogenol-C 21-Angelate |
| Smiles | C/C=C(/C)C(=O)O[C@H]1[C@H](O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C |
| Inchi | InChI=1S/C35H56O6/c1-10-20(2)29(40)41-28-27(39)35(19-36)22(17-30(28,3)4)21-11-12-24-32(7)15-14-25(37)31(5,6)23(32)13-16-33(24,8)34(21,9)18-26(35)38/h10-11,22-28,36-39H,12-19H2,1-9H3/b20-10-/t22-,23-,24+,25-,26+,27-,28-,32-,33+,34+,35-/m0/s1 |
| Inchi Key | SJSCBAFROHXGCX-MAVWQDHUSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 3.47 |
| Records Key | ['2', '3'] |
| Records Name | ['barringtogenol-C 21-angelate', '(+)-barringtogenol B'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
