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(Z) -Butylidenephthalide

CAT: 0013-GTR19183045-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19183045-01Size:1 ml x 10 mM (in DMSO)
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Description
(Z) -Butylidenephthalide is a bioactive small molecule with demonstrated antitumor and hypoglycemic properties. Research indicates it inhibits glioma cell growth in vitro and in vivo and acts as an α-glucosidase inhibitor, making it relevant for oncology and metabolic disorder studies.
CAS Number
72917-31-8
Product Name Alternative
(Z) Butylidenephthalide, (Z) Butylidenephthalide, (Z) -3-Butylidenephthalide, Butylidenephthalide, Glucosidase, PKC
Field of Research
Metabolism Research
Purity
99.72% (May vary between batches)
Smiles
C (\CCC) =C\1/C=2C (C (=O) O1) =CC=CC2
Molecular Formula
C12H12O2
Molecular Weight
188.22
Storage Conditions
Pure form: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

(Z)-Butylidenephthalide

(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 Number72917-31-8
PubChem CID642376
IUPAC Name(3Z)-3-butylidene-2-benzofuran-1-one
Molecular FormulaC12H12O2
Molecular Weight188.22
XLogP3.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity255
SMILES
CCC/C=C\1/C2=CC=CC=C2C(=O)O1
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-
InChIKey
WMBOCUXXNSOQHM-FLIBITNWSA-N
Chemical Structure
2D Structure
2D structure of (Z)-Butylidenephthalide
CAS: 72917-31-8
CID: 642376
Formula: C12H12O2
MW: 188.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.22
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass188.083729621
Monoisotopic Mass188.083729621
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity255
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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