Bioactive Compound Details
| BioID | bio589 |
|---|---|
| Name | EXCAVATOLIDE C |
| ChEMBL ID | CHEMBL505918 |
| Molecular Formula | C28H36O12 |
| Molecular Weight | 564.58 |
| Molecular Weight (Monoisotopic) | 564.2207 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Excavatolide C |
| Smiles | CC(=O)O[C@H]1C[C@H](O)[C@H](C)[C@H]2[C@@]1(C)[C@]1(OC(C)=O)[C@@H](OC(C)=O)C/C(C)=C\[C@@H]3OC(=O)[C@@]4(C)O[C@]34[C@]21OC(C)=O |
| Inchi | InChI=1S/C28H36O12/c1-12-9-20(36-15(4)30)26(38-16(5)31)24(7)19(35-14(3)29)11-18(33)13(2)22(24)28(26,39-17(6)32)27-21(10-12)37-23(34)25(27,8)40-27/h10,13,18-22,33H,9,11H2,1-8H3/b12-10-/t13-,18-,19-,20-,21-,22-,24-,25+,26+,27+,28-/m0/s1 |
| Inchi Key | AUEFUUCAYXEJJT-FBNOZLGZSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 2.71 |
| Records Key | ['3'] |
| Records Name | ['excavatolide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
