Bioactive Compound Details
| BioID | bio1046 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL462905 |
| Molecular Formula | C32H52O5 |
| Molecular Weight | 516.76 |
| Molecular Weight (Monoisotopic) | 516.3815 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Rubianol-C |
| Smiles | CC(=O)OC[C@@]12CC[C@@]3(C)[C@H]4C(=CC[C@]3(C)[C@H]1[C@H](O)C[C@H]2C(C)C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]4O |
| Inchi | InChI=1S/C32H52O5/c1-18(2)21-15-23(35)27-31(8)12-9-20-26(30(31,7)13-14-32(21,27)17-37-19(3)33)22(34)16-24-28(4,5)25(36)10-11-29(20,24)6/h9,18,21-27,34-36H,10-17H2,1-8H3/t21-,22-,23+,24-,25-,26-,27+,29+,30-,31+,32+/m0/s1 |
| Inchi Key | QIFUZQYPSMCPOR-CRBXCGNKSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 3.3 |
| Records Key | ['3'] |
| Records Name | ['rubianol-c'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
