(Z) -Butylidenephthalide

Chemical Information
(Z)-3-butylidenephthalide 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 gamma-lactone and a member of 2-benzofurans. It is functionally related to a 2-benzofuran-1(3H)-one.
| CAS Number | 72917-31-8 |
| PubChem CID | 642376 |
| IUPAC Name | (3Z)-3-butylidene-2-benzofuran-1-one |
| Molecular Formula | C12H12O2 |
| Molecular Weight | 188.22 |
| XLogP | 3.2 |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 255 |
| Property | Value |
|---|---|
| Molecular Weight | 188.22 |
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 188.083729621 |
| Monoisotopic Mass | 188.083729621 |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 255 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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