| 2D Structure | |
| CID | 5319022 |
| Target | nAChRbeta2 |
| IUPAC Name | (3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one |
| InChI | InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8- |
| InChI Key | IQVQXVFMNOFTMU-FLIBITNWSA-N |
| Canonical SMILES | CCCC=C1C2=C(C=CCC2)C(=O)O1 |
| Isomeric SMILES | CCC/C=C\1/C2=C(C=CCC2)C(=O)O1 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.24 |
| synonyms | ['Ligustilide', '4431-01-0', '(Z)-Ligustilide', 'Ligustilide A', 'Z-ligustilide', '1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (3Z)-', '1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-', '(3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one', '10HE68JD06', '1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (Z)-', '(3Z)-3-BUTYLIDENE-4,5-DIHYDRO-1(3H)-ISOBENZOFURANONE', 'DTXSID40863398', '(3E)-3-butylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one', 'DTXCID00812024', '694-690-6', '809-243-4', '81944-09-4', 'cis-ligustilide', '(Z)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one', '3-butylidene-4,5-dihydrophthalide', 'CHEMBL481246', 'CHEBI:68232', 'trans-ligustilide', 'Ligusticide', 'Ligustilide?', 'MFCD01861511', 'Ligustilide, (E)-', 'Spectrum5_000551', '3-Butyliden-4,5-dihydro-3H-isobenzofuran-1-one', 'UNII-10HE68JD06', 'Z-Ligustilide, in acetonitrile', 'SCHEMBL11967666', 'Ligustilide, >=98% (HPLC)', 'BCP09458', 'HY-N0401', 'MSK40092', 'BDBM50441016', 's9385', 'AKOS006276856', 'AC-8049', 'CCG-266505', 'CS-5299', 'FL40394', 'FL65531', '1ST40092', 'AS-15334', 'DA-64972', 'DA-79127', 'C16987', 'F30153', 'BRD-K48875051-001-01-0', 'Q27136725', '(1E)-2-(4-Chlorophenyl)-3-(4-morpholinyl)-N-[(Z)-4-pyridinylmethylidene]-3-thioxo-1-propen-1-amine', '3-Butylidene-4,5-dihydro-1(3H)-isobenzofuranone;1(3H)-Isobenzofuranone,3-butylidene-4,5-dihydro-;(3Z)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one'] |
From Pubchem