Bioactive Compound Details
| BioID | bio120 |
|---|---|
| Name | PETROCORTYNE C |
| ChEMBL ID | CHEMBL450868 |
| Molecular Formula | C46H70O3 |
| Molecular Weight | 671.06 |
| Molecular Weight (Monoisotopic) | 670.5325 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Petrocortyne C |
| Smiles | C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCC/C=C\CCCCc1cc(=O)cc(CCCCCC/C=C/C(O)C#C)o1 |
| Inchi | InChI=1S/C46H70O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-33-36-39-45-41-44(48)42-46(49-45)40-37-34-31-30-32-35-38-43(47)4-2/h1-2,5-6,21-22,27-28,35,38,41-43,47H,7-20,23-26,29-34,36-37,39-40H2/b6-5-,22-21-,28-27-,38-35+ |
| Inchi Key | DELOXYOLYWBTNR-PIWYAANRSA-N |
| Molecular Species | NEUTRAL |
| Targets | 6.0 |
| Bioactivities | 8.0 |
| Np Likeness Score | 1.13 |
| Records Key | ['7'] |
| Records Name | ['Petrocortyne C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
