| BioID | bio199664 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL244007 |
|---|
| Molecular Formula | C26H22O7S |
|---|
| Molecular Weight | 478.52 |
|---|
| Molecular Weight (Monoisotopic) | 478.1086 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 3'-(2-Hydroxyethylmercapto)Diospyrin Dimethylether |
|---|
| Smiles | COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(SCCO)=CC3=O)C2=O |
|---|
| Inchi | InChI=1S/C26H22O7S/c1-12-7-15-22(19(8-12)32-3)18(29)10-16(24(15)30)21-13(2)9-14-17(28)11-20(34-6-5-27)25(31)23(14)26(21)33-4/h7-11,27H,5-6H2,1-4H3 |
|---|
| Inchi Key | CLCPJISKAUFJQT-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 8.0 |
|---|
| Np Likeness Score | 0.89 |
|---|
| Records Key | ['10', '7'] |
|---|
| Records Name | [7'-(2-hydroxyethylthio)-1',5-dimethoxy-3',7-dimethyl-2,2'-binaphthyl-1,4,5',8'-tetraone", "3'-(2-hydroxyethylmercapto)diospyrin dimethylether"]" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
