N-Acetylanonaine
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL454847 | |
| PubChem: | 6453733 | |
| IUPAC: | 1-[(12R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-11-yl]ethanone | |
| Standard InChI: | InChI=1S/C19H17NO3/c1-11(21)20-7-6-13-9-16-19(23-10-22-16)18-14-5-3-2-4-12(14)8-15(20)17(13)18/h2-5,9,15H,6-8,10H2,1H3/t15-/m1/s1 | |
| Standard InChI Key: | XVIHBNVDAPQBRH-OAHLLOKOSA-N | |
| SMILES: | CC(=O)N1CCc2c3[C@H]1Cc1ccccc1c3c1c(c2)OCO1 | |
Molecular propeties
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| AlogP: | 3.08 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 5 | |
| Molecular Weight: | 307.12 | |
| Topological polar surface area: | 38.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.316 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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