| BioID | bio198620 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL243206 |
|---|
| Molecular Formula | C26H23NO7 |
|---|
| Molecular Weight | 461.47 |
|---|
| Molecular Weight (Monoisotopic) | 461.1475 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 3'-(2-Hydroxyethylamino)Diospyrin Dimethylether |
|---|
| Smiles | COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(NCCO)=CC3=O)C2=O |
|---|
| Inchi | InChI=1S/C26H23NO7/c1-12-7-15-22(20(8-12)33-3)19(30)10-16(24(15)31)21-13(2)9-14-18(29)11-17(27-5-6-28)25(32)23(14)26(21)34-4/h7-11,27-28H,5-6H2,1-4H3 |
|---|
| Inchi Key | DEMIZMRZDIXXNU-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 8.0 |
|---|
| Np Likeness Score | 1.1 |
|---|
| Records Key | ['4', '7'] |
|---|
| Records Name | [3'-(2-hydroxyethylamino)diospyrin dimethylether", "7'-(2-hydroxyethylamino)-1',5-dimethoxy-3',7-dimethyl-2,2'-binaphthyl-1,4,5',8'-tetraone"]" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
