Cusparine
Representations & DB's id
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| ChEBI: | CHEBI:3964 | |
|---|---|---|
| ChEMBL: | CHEMBL456954 | |
| PubChem: | 442893 | |
| IUPAC: | 2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxyquinoline | |
| Standard InChI: | InChI=1S/C19H17NO3/c1-21-18-11-14(20-16-5-3-2-4-15(16)18)8-6-13-7-9-17-19(10-13)23-12-22-17/h2-5,7,9-11H,6,8,12H2,1H3 | |
| Standard InChI Key: | RIXOVHWIYRZQDC-UHFFFAOYSA-N | |
| SMILES: | COc1cc(CCc2ccc3c(c2)OCO3)nc2c1cccc2 | |
Molecular propeties
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| AlogP: | 3.76 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 4 | |
| Molecular Weight: | 307.12 | |
| Topological polar surface area: | 40.6 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.211 | |
| Number of carbons: | 19 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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