Bioactive Compound Details
| BioID | bio300 |
|---|---|
| Name | CHISOPANIN C |
| ChEMBL ID | CHEMBL1668608 |
| Molecular Formula | C33H52O6 |
| Molecular Weight | 544.77 |
| Molecular Weight (Monoisotopic) | 544.3764 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Chisopanin C |
| Smiles | C=C(C)[C@@H](O)[C@H]1C[C@@H]([C@H]2CC=C3[C@]4(C)[C@H](O)C[C@H]5C(C)(C)[C@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]32C)[C@H](OC)O1 |
| Inchi | InChI=1S/C33H52O6/c1-18(2)28(36)22-16-20(29(37-9)39-22)21-10-11-23-31(21,6)14-12-24-32(7)15-13-27(38-19(3)34)30(4,5)25(32)17-26(35)33(23,24)8/h11,20-22,24-29,35-36H,1,10,12-17H2,2-9H3/t20-,21+,22+,24+,25-,26+,27+,28+,29+,31-,32+,33-/m0/s1 |
| Inchi Key | JWGJNIOYCUPJKS-AFOKCQQXSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 3.32 |
| Records Key | ['3, Chisopanin C'] |
| Records Name | ['3alpha-acetoxyl-21R-methoxyl-17alpha-20S-21,23R-epoxyapotirucall-14,25-dien-7alpha,24R-diol'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
