Bioactive Compound Details
| BioID | bio198894 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2047723 |
| Molecular Formula | C25H32O3 |
| Molecular Weight | 380.53 |
| Molecular Weight (Monoisotopic) | 380.2351 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Leubethanyl 2-Furoate |
| Smiles | CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c(OC(=O)c3ccco3)cc(C)cc21 |
| Inchi | InChI=1S/C25H32O3/c1-16(2)8-6-9-18(4)20-12-11-19(5)24-21(20)14-17(3)15-23(24)28-25(26)22-10-7-13-27-22/h7-8,10,13-15,18-20H,6,9,11-12H2,1-5H3/t18-,19+,20-/m0/s1 |
| Inchi Key | OYVGSVFRTZZGMO-ZCNNSNEGSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 1.24 |
| Records Key | ['11p'] |
| Records Name | ['Leubethanyl 2-furoate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
