Bioactive Compound Details
| BioID | bio771 |
|---|---|
| Name | CASEAMEMBRIN C |
| ChEMBL ID | CHEMBL475879 |
| Molecular Formula | C31H46O9 |
| Molecular Weight | 562.7 |
| Molecular Weight (Monoisotopic) | 562.3142 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | caseamembrin C |
| Smiles | C=CC(=C)CC[C@]1(C)[C@H]2C[C@H](OC(=O)C(C)CC)C=C3[C@H](OC(=O)CCC)O[C@H](OC(C)=O)[C@@]32[C@H](O)[C@H](O)[C@@H]1C |
| Inchi | InChI=1S/C31H46O9/c1-9-12-24(33)39-28-22-15-21(38-27(36)18(5)11-3)16-23-30(8,14-13-17(4)10-2)19(6)25(34)26(35)31(22,23)29(40-28)37-20(7)32/h10,15,18-19,21,23,25-26,28-29,34-35H,2,4,9,11-14,16H2,1,3,5-8H3/t18?,19-,21+,23+,25+,26+,28+,29-,30-,31-/m0/s1 |
| Inchi Key | BOVQULZBTRBINP-SFNDVPNUSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 3.31 |
| Records Key | ['3, caseamembrin C'] |
| Records Name | ['rel-(2S,5R,6S,7R,8S,9S,10R,18S,19R)-19-acetoxy-18-butanoyloxy-18,19-epoxy-6,7-dihydroxy-2-(2-methylbutanoyloxy)cleroda-3,13(16),14-triene'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
