Bioactive Compound Details
| BioID | bio197232 |
|---|---|
| Name | 25-HYDROXYERGOCALCIFEROL- |
| ChEMBL ID | CHEMBL5095206 |
| Molecular Formula | C28H44O2 |
| Molecular Weight | 412.66 |
| Molecular Weight (Monoisotopic) | 412.3341 |
| Type | Small molecule |
| Max Phase | Phase 3 |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 25-HYDROXY ERGOCALCIFEROL|25-HYDROXYCALCIFEROL|25-HYDROXYERGOCALCIFEROL-|25-HYDROXYVITAMIN D|25-HYDROXYVITAMIN D 2|25-HYDROXYVITAMIN D2|ERCALCIDIOL |
| Smiles | C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)(C)O)CC[C@@H]12 |
| Inchi | InChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9+,22-12+,23-13-/t20-,21+,24+,25-,26+,28-/m1/s1 |
| Inchi Key | KJKIIUAXZGLUND-ICCVIKJNSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 2.58 |
| Records Key | ['25-HYDROXYERGOCALCIFEROL-'] |
| Records Name | ['25-HYDROXYERGOCALCIFEROL-'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
