Bioactive Compound Details
| BioID | bio199173 |
|---|---|
| Name | DIDEHYDROSTEMOFOLINE |
| ChEMBL ID | CHEMBL1807141 |
| Molecular Formula | C22H27NO5 |
| Molecular Weight | 385.46 |
| Molecular Weight (Monoisotopic) | 385.1889 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 1',2'-Didehyrostemofoline |
| Smiles | CC/C=C/[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 |
| Inchi | InChI=1S/C22H27NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18-/t11-,13-,14+,15-,16+,21-,22+/m0/s1 |
| Inchi Key | XNUWGEPKIOWLHQ-KQYNXQAPSA-N |
| Molecular Species | BASE |
| Targets | 2.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 4.0 |
| Records Key | [1',2'-didehyrostemofoline", 'Didehydrostemofoline']" |
| Records Name | [1',2'-didehyrostemofoline", 'Didehydrostemofoline']" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
