Narceine
Representations & DB's id
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| ChEBI: | CHEBI:7480 | |
|---|---|---|
| ChEMBL: | CHEMBL486305 | |
| PubChem: | 86308142 | |
| IUPAC: | 6-[2-[6-[2-(dimethylazaniumyl)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoate | |
| Standard InChI: | InChI=1S/C23H27NO8/c1-24(2)9-8-13-10-18-22(32-12-31-18)20(29-4)15(13)11-16(25)14-6-7-17(28-3)21(30-5)19(14)23(26)27/h6-7,10H,8-9,11-12H2,1-5H3,(H,26,27) | |
| Standard InChI Key: | DEXMFYZAHXMZNM-UHFFFAOYSA-N | |
| SMILES: | COc1c(CC(=O)c2ccc(c(c2C(=O)O)OC)OC)c(CCN(C)C)cc2c1OCO2 | |
Molecular propeties
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| AlogP: | 2.67 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 10 | |
| Number of rings: | 3 | |
| Molecular Weight: | 445.17 | |
| Topological polar surface area: | 108 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.391 | |
| Number of carbons: | 23 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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