Bioactive Compound Details
| BioID | bio199609 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1818846 |
| Molecular Formula | C19H19NO2 |
| Molecular Weight | 293.37 |
| Molecular Weight (Monoisotopic) | 293.1416 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Methoxyheptaphylline |
| Smiles | COc1c(C=O)cc2c([nH]c3ccccc32)c1CC=C(C)C |
| Inchi | InChI=1S/C19H19NO2/c1-12(2)8-9-15-18-16(10-13(11-21)19(15)22-3)14-6-4-5-7-17(14)20-18/h4-8,10-11,20H,9H2,1-3H3 |
| Inchi Key | DSJBRDUNEIOHQN-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 1.37 |
| Records Key | ['Ia'] |
| Records Name | ['2-Methoxyheptaphylline'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
