Bioactive Compound Details
| BioID | bio1032 |
|---|---|
| Name | JUNCENOLIDE C |
| ChEMBL ID | CHEMBL491566 |
| Molecular Formula | C30H36O15 |
| Molecular Weight | 636.6 |
| Molecular Weight (Monoisotopic) | 636.2054 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Juncenolide C |
| Smiles | CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@]2(CO2)[C@H]2[C@](C)([C@H]1OC(C)=O)[C@]1(OC(C)=O)/C=C\C(CO)=C/[C@@H]3OC(=O)[C@H](C)[C@@]3(O)[C@]21OC(C)=O |
| Inchi | InChI=1S/C30H36O15/c1-13-24(37)43-20-10-19(11-31)8-9-28(44-17(5)35)26(7)22(41-15(3)33)21(40-14(2)32)23(42-16(4)34)27(12-39-27)25(26)30(28,29(13,20)38)45-18(6)36/h8-10,13,20-23,25,31,38H,11-12H2,1-7H3/b9-8-,19-10+/t13-,20-,21+,22-,23+,25+,26-,27+,28+,29-,30-/m0/s1 |
| Inchi Key | IJMVASGWKRPVHU-OBNNQZCESA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 2.79 |
| Records Key | ['2'] |
| Records Name | ['juncenolide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
