Bioactive Compound Details
| BioID | bio197667 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL258182 |
| Molecular Formula | C39H70O7 |
| Molecular Weight | 650.98 |
| Molecular Weight (Monoisotopic) | 650.5122 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Epicalamistrin |
| Smiles | CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@@H](C[C@H](O)CCCCCCCCCCCCC2=CC(C)OC2=O)OC(C)=O)O1 |
| Inchi | InChI=1S/C39H70O7/c1-4-5-6-7-8-9-14-17-20-23-26-35(42)36-27-28-37(46-36)38(45-32(3)40)30-34(41)25-22-19-16-13-11-10-12-15-18-21-24-33-29-31(2)44-39(33)43/h29,31,34-38,41-42H,4-28,30H2,1-3H3/t31?,34-,35-,36-,37-,38-/m1/s1 |
| Inchi Key | FPQIHOHGIGXPEO-SCBCSMBVSA-N |
| Molecular Species | NEUTRAL |
| Targets | 7.0 |
| Bioactivities | 7.0 |
| Np Likeness Score | 1.85 |
| Records Key | ['1'] |
| Records Name | ['2-epicalamistrin'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
