Arborinine
Representations & DB's id
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| ChEBI: | CHEBI:2804 | |
|---|---|---|
| ChEMBL: | CHEMBL349609 | |
| PubChem: | 5281832 | |
| IUPAC: | 1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one | |
| Standard InChI: | InChI=1S/C16H15NO4/c1-17-10-7-5-4-6-9(10)14(18)13-11(17)8-12(20-2)16(21-3)15(13)19/h4-8,19H,1-3H3 | |
| Standard InChI Key: | ATBZZQPALSPNMF-UHFFFAOYSA-N | |
| SMILES: | COc1cc2c(c(c1OC)O)c(=O)c1c(n2C)cccc1 | |
Molecular propeties
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| AlogP: | 2.41 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 285.1 | |
| Topological polar surface area: | 59 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.188 | |
| Number of carbons: | 16 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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