Bioactive Compound Details
| BioID | bio1441 |
|---|---|
| Name | ELAEOCARPUCIN C |
| ChEMBL ID | CHEMBL2023378 |
| Molecular Formula | C30H46O5 |
| Molecular Weight | 486.69 |
| Molecular Weight (Monoisotopic) | 486.3345 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Elaeocarpucin C |
| Smiles | C/C(=C\[C@H]1C[C@](C)(O)[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1)CO |
| Inchi | InChI=1S/C30H46O5/c1-17(16-31)12-18-13-29(6,34)25-21(35-18)14-27(4)22-10-8-19-20(9-11-23(32)26(19,2)3)30(22,7)24(33)15-28(25,27)5/h8,12,18,20-23,25,31-32,34H,9-11,13-16H2,1-7H3/b17-12+/t18-,20+,21+,22-,23-,25-,27-,28+,29-,30-/m0/s1 |
| Inchi Key | IFEXLFRFNBMPPC-HHMFILIPSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 3.59 |
| Records Key | ['3, Elaeocarpucin C'] |
| Records Name | ['(3S,8S,9R,10R,13R,14S,16R,17R,20S,23R,24E)-16,23-epoxy-3,20,27-trihydroxycucurbit-5,24-dien-11-one'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
