Bioactive Compound Details
| BioID | bio198188 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL479129 |
| Molecular Formula | C16H12O6 |
| Molecular Weight | 300.27 |
| Molecular Weight (Monoisotopic) | 300.0634 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Hydroxyemodin 1-Methyl Ether |
| Smiles | COc1c(O)c(C)cc2c1C(=O)c1c(O)cc(O)cc1C2=O |
| Inchi | InChI=1S/C16H12O6/c1-6-3-8-12(16(22-2)13(6)19)15(21)11-9(14(8)20)4-7(17)5-10(11)18/h3-5,17-19H,1-2H3 |
| Inchi Key | JGWNHIDADWFGIJ-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 6.0 |
| Bioactivities | 36.0 |
| Np Likeness Score | 1.71 |
| Records Key | ['3'] |
| Records Name | ['2-hydroxyemodin 1-methyl ether'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
