(E)-Butylidenephthalide
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1765390 | |
| PubChem: | 5352899 | |
| IUPAC: | (3E)-3-butylidene-2-benzofuran-1-one | |
| Standard InChI: | InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8+ | |
| Standard InChI Key: | WMBOCUXXNSOQHM-DHZHZOJOSA-N | |
| SMILES: | CCC/C=C1/OC(=O)c2c1cccc2 | |
Molecular propeties
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| AlogP: | 3 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 2 | |
| Molecular Weight: | 188.08 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.25 | |
| Number of carbons: | 12 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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