Bioactive Compound Details
| BioID | bio1121 |
|---|---|
| Name | TIEGUSANIN C |
| ChEMBL ID | CHEMBL563213 |
| Molecular Formula | C30H34O8 |
| Molecular Weight | 522.59 |
| Molecular Weight (Monoisotopic) | 522.2254 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Tiegusanin C |
| Smiles | COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC(=O)c1ccccc1)[C@H](O)[C@H](C)[C@H](C)C2 |
| Inchi | InChI=1S/C30H34O8/c1-16-13-19-14-21(33-3)26(35-5)28(37-7)23(19)24-20(25(31)17(16)2)15-22(34-4)27(36-6)29(24)38-30(32)18-11-9-8-10-12-18/h8-12,14-17,25,31H,13H2,1-7H3/t16-,17-,25-/m1/s1 |
| Inchi Key | VQIUJKPVZMSRSS-RYUVBPIJSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 1.23 |
| Records Key | ['3'] |
| Records Name | ['tiegusanin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
