| BioID | bio197359 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL396733 |
|---|
| Molecular Formula | C28H27NO7 |
|---|
| Molecular Weight | 489.52 |
|---|
| Molecular Weight (Monoisotopic) | 489.1788 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 3'-(2-Hydroxyethylamino)Diospyrin Diethylether |
|---|
| Smiles | CCOc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OCC)C(=O)C(NCCO)=CC3=O)C2=O |
|---|
| Inchi | InChI=1S/C28H27NO7/c1-5-35-22-10-14(3)9-17-24(22)21(32)12-18(26(17)33)23-15(4)11-16-20(31)13-19(29-7-8-30)27(34)25(16)28(23)36-6-2/h9-13,29-30H,5-8H2,1-4H3 |
|---|
| Inchi Key | ODCBDZSODWWHEB-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 8.0 |
|---|
| Np Likeness Score | 0.82 |
|---|
| Records Key | ['8', '5'] |
|---|
| Records Name | [1',5-diethoxy-7'-(2-hydroxyethylamino)-3',7-dimethyl-2,2'-binaphthyl-1,4,5',8'-tetraone", "3'-(2-hydroxyethylamino)diospyrin diethylether"]" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
