11,12-Dimethoxy-6,8,9,15-tetrahydro[1,3]benzodioxolo[4,5-c]benzo[g]azecin-14(7H)-one
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2000522 | |
| PubChem: | 371229 | |
| IUPAC: | 6,7-dimethoxy-16,18-dioxa-12-azatetracyclo[12.7.0.04,9.015,19]henicosa-1(14),4,6,8,15(19),20-hexaen-3-one | |
| Standard InChI: | InChI=1S/C20H21NO5/c1-23-18-8-13-5-6-21-10-15-12(3-4-17-20(15)26-11-25-17)7-16(22)14(13)9-19(18)24-2/h3-4,8-9,21H,5-7,10-11H2,1-2H3 | |
| Standard InChI Key: | WIILRXFCYJMJTC-UHFFFAOYSA-N | |
| SMILES: | COc1cc2C(=O)Cc3ccc4c(c3CNCCc2cc1OC)OCO4 | |
Molecular propeties
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| AlogP: | 2.5 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 4 | |
| Molecular Weight: | 355.14 | |
| Topological polar surface area: | 66 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.35 | |
| Number of carbons: | 20 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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