Homomoschatoline
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL227533 | |
| PubChem: | 145779 | |
| IUPAC: | 14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one | |
| Standard InChI: | InChI=1S/C19H15NO4/c1-22-17-12-8-9-20-15-13(12)14(18(23-2)19(17)24-3)10-6-4-5-7-11(10)16(15)21/h4-9H,1-3H3 | |
| Standard InChI Key: | WXGQWNXTPSGPIX-UHFFFAOYSA-N | |
| SMILES: | COc1c(OC)c(OC)c2c3c1c1ccccc1C(=O)c3ncc2 | |
Molecular propeties
| ||
| AlogP: | 3.47 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 321.1 | |
| Topological polar surface area: | 57.6 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.158 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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