Bioactive Compound Details
| BioID | bio199924 |
|---|---|
| Name | 2'-HYDROXYSTEMOFOLINE |
| ChEMBL ID | CHEMBL491987 |
| Molecular Formula | C22H29NO6 |
| Molecular Weight | 403.48 |
| Molecular Weight (Monoisotopic) | 403.1995 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2'-Hydroxystemofoline |
| Smiles | CC[C@H](O)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/C22H29NO6/c1-5-12(24)9-21-14-6-7-23(21)13-8-15(21)28-22(14)16(13)10(2)18(29-22)19-17(26-4)11(3)20(25)27-19/h10,12-16,24H,5-9H2,1-4H3/b19-18-/t10-,12-,13-,14-,15-,16+,21-,22+/m0/s1 |
| Inchi Key | WXCVDEUJZBRYIT-DOKLQMRDSA-N |
| Molecular Species | BASE |
| Targets | 3.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 3.83 |
| Records Key | ['2', 2'-hydroxystemofoline"]" |
| Records Name | [2'-Hydroxystemofoline", "2'-hydroxystemofoline"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
