Oxostephanine
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL521933 | |
| PubChem: | 343547 | |
| IUPAC: | 15-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one | |
| Standard InChI: | InChI=1S/C18H11NO4/c1-21-11-4-2-3-10-14(11)17(20)16-13-9(5-6-19-16)7-12-18(15(10)13)23-8-22-12/h2-7H,8H2,1H3 | |
| Standard InChI Key: | HPWGRUBQQWPQKG-UHFFFAOYSA-N | |
| SMILES: | COc1cccc2c1C(=O)c1nccc3c1c2c1OCOc1c3 | |
Molecular propeties
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| AlogP: | 3.18 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 5 | |
| Molecular Weight: | 305.07 | |
| Topological polar surface area: | 57.6 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.111 | |
| Number of carbons: | 18 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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