Dehydroroemerine
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1171263 | |
| PubChem: | 161899 | |
| IUPAC: | 11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaene | |
| Standard InChI: | InChI=1S/C18H15NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,8-9H,6-7,10H2,1H3 | |
| Standard InChI Key: | YUWBTKIVDAWQHK-UHFFFAOYSA-N | |
| SMILES: | CN1CCc2c3c1cc1ccccc1c3c1c(c2)OCO1 | |
Molecular propeties
| ||
| AlogP: | 3.71 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 5 | |
| Molecular Weight: | 277.11 | |
| Topological polar surface area: | 21.7 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.222 | |
| Number of carbons: | 18 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|