| BioID | bio126561 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL2164797 |
|---|
| Molecular Formula | C23H25NO4 |
|---|
| Molecular Weight | 379.46 |
|---|
| Molecular Weight (Monoisotopic) | 379.1784 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar94 |
|---|
| Target Name | None |
|---|
| Synonyms | (12S,13As)-12-Hydroxyantofine |
|---|
| Smiles | COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1C[C@H](O)CN1C3 |
|---|
| Inchi | InChI=1S/C23H25NO4/c1-26-15-4-5-16-18(8-15)20-10-23(28-3)22(27-2)9-19(20)17-7-13-6-14(25)11-24(13)12-21(16)17/h4-5,8-10,13-14,25H,6-7,11-12H2,1-3H3/t13-,14+/m1/s1 |
|---|
| Inchi Key | PYOOBNNMRMMLBP-KGLIPLIRSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | 0.68 |
|---|
| Records Key | ['9b'] |
|---|
| Records Name | ['(12S,13aS)-12-hydroxyantofine'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
