Dillapiole
Representations & DB's id
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| ChEBI: | CHEBI:70453 | |
|---|---|---|
| ChEMBL: | CHEMBL470874 | |
| PubChem: | 10231 | |
| IUPAC: | 4,5-dimethoxy-6-prop-2-enyl-1,3-benzodioxole | |
| Standard InChI: | InChI=1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4,6H,1,5,7H2,2-3H3 | |
| Standard InChI Key: | LIKYNOPXHGPMIH-UHFFFAOYSA-N | |
| SMILES: | C=CCc1cc2OCOc2c(c1OC)OC | |
Molecular propeties
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| AlogP: | 2.16 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 2 | |
| Molecular Weight: | 222.09 | |
| Topological polar surface area: | 36.9 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.333 | |
| Number of carbons: | 12 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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