Bioactive Compound Details
| BioID | bio627 |
|---|---|
| Name | COMNASTIN C |
| ChEMBL ID | CHEMBL498068 |
| Molecular Formula | C27H38O5 |
| Molecular Weight | 442.6 |
| Molecular Weight (Monoisotopic) | 442.2719 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | comnastin C |
| Smiles | C[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@]3(C)C(=O)O)[C@]1(C)Cc1cc(C(=O)O)ccc1O |
| Inchi | InChI=1S/C27H38O5/c1-16-8-11-24(2)20(9-12-26(4)21(24)10-13-27(26,5)23(31)32)25(16,3)15-18-14-17(22(29)30)6-7-19(18)28/h6-7,14,16,20-21,28H,8-13,15H2,1-5H3,(H,29,30)(H,31,32)/t16-,20-,21-,24+,25-,26-,27+/m1/s1 |
| Inchi Key | VEXFNNZBZUDQNY-PYWMRIOGSA-N |
| Molecular Species | ACID |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 1.94 |
| Records Key | ['3, comnastin C'] |
| Records Name | ['(3R,3aR,5aS,6R,7R,9aS,9bR)-6-(5-carboxy-2-hydroxybenzyl)-3,3a,6,7,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]naphthalene-3-carboxylic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
