Bioactive Compound Details
| BioID | bio332 |
|---|---|
| Name | KHAYANOLIDE C |
| ChEMBL ID | CHEMBL2269374 |
| Molecular Formula | C27H32O10 |
| Molecular Weight | 516.54 |
| Molecular Weight (Monoisotopic) | 516.1995 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | None |
| Smiles | COC(=O)[C@H](O)[C@H]1[C@]2(C)C[C@]3(O)[C@@H](C(=O)[C@H]2O)[C@]2(O)C4=CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]2[C@]13C |
| Inchi | InChI=1S/C27H32O10/c1-23-7-5-13-25(3)18(17(30)22(32)35-4)24(2)11-26(25,33)19(16(29)20(24)31)27(13,34)14(23)9-15(28)37-21(23)12-6-8-36-10-12/h6,8-10,13,17-21,30-31,33-34H,5,7,11H2,1-4H3/t13-,17-,18+,19-,20-,21+,23-,24+,25-,26+,27-/m1/s1 |
| Inchi Key | BXSPWNHDIUKNAJ-JBCFVKSBSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 2.75 |
| Records Key | ['3'] |
| Records Name | ['Khayanolide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
