Molecule ID: 642376

IUPAC Name: (3Z)-3-butylidene-2-benzofuran-1-one

Description: The molecule is a gamma-lactone that is phthalide substituted by a butylidene group at position 3. Isolated from Ligusticum porteri, it exhibits hypoglycemic activity. It has a role as a metabolite, a hypoglycemic agent and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a member of 2-benzofurans and a gamma-lactone. It derives from a 2-benzofuran-1(3H)-one.

SMILES: CCC/C=C1\OC(=O)c2ccccc21

SELFIES: [C][C][C][/C][=C][\O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]

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-

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 3.2