Bioactive Compound Details
| BioID | bio607 |
|---|---|
| Name | KADCOCCILACTONE C |
| ChEMBL ID | CHEMBL448238 |
| Molecular Formula | C30H44O7 |
| Molecular Weight | 516.68 |
| Molecular Weight (Monoisotopic) | 516.3087 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Kadcoccilactone C |
| Smiles | CC1=CC[C@@H]([C@@H](C)[C@@H]2CC[C@@]3(CO)[C@@H]4CC[C@H]5C(C)(C)O[C@@H]6CC(=O)O[C@@]65C[C@@]4(O)CC[C@]23C)OC1=O |
| Inchi | InChI=1S/C30H44O7/c1-17-6-7-20(35-25(17)33)18(2)19-10-11-28(16-31)22-9-8-21-26(3,4)36-23-14-24(32)37-30(21,23)15-29(22,34)13-12-27(19,28)5/h6,18-23,31,34H,7-16H2,1-5H3/t18-,19-,20-,21-,22-,23+,27+,28+,29-,30+/m0/s1 |
| Inchi Key | HHTXECUEDFYGHX-NAQFNSOCSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 3.54 |
| Records Key | ['3'] |
| Records Name | ['Kadcoccilactone C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
