Bioactive Compound Details
| BioID | bio659 |
|---|---|
| Name | KADLONGILACTONE C |
| ChEMBL ID | CHEMBL252749 |
| Molecular Formula | C31H40O6 |
| Molecular Weight | 508.66 |
| Molecular Weight (Monoisotopic) | 508.2825 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Kadlongilactone C |
| Smiles | CO[C@@H]1C[C@]2(C)[C@@H](C[C@]3(O)C=C4C=CC(=O)OC(C)(C)[C@@H]4CC[C@@H]23)C2=C1[C@H](C)[C@@H]1OC(=O)C(C)=C[C@@H]1C2 |
| Inchi | InChI=1S/C31H40O6/c1-16-11-19-12-20-22-14-31(34)13-18-7-10-25(32)37-29(3,4)21(18)8-9-24(31)30(22,5)15-23(35-6)26(20)17(2)27(19)36-28(16)33/h7,10-11,13,17,19,21-24,27,34H,8-9,12,14-15H2,1-6H3/t17-,19+,21+,22-,23+,24-,27-,30+,31+/m0/s1 |
| Inchi Key | CFDFOUVGATVVRB-WFWCNBNTSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 3.29 |
| Records Key | ['2'] |
| Records Name | ['kadlongilactone c'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
