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Ligustilide A

CAT: 0013-GTR19154932-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154932-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ligustilide A, an active ingredient isolated from the medicinal plants Angelica acutiloba and Cnidium officinale, inhibits benzo (a) pyrene-induced CYP1A1 upregulation in cultured human keratinocytes via ROS-dependent Nrf2 activation.
CAS Number
81944-09-4
Product Name Alternative
Cis-Ligustilide
Purity
>98% (HPLC)
Solubility
DMSO:100 mg/mL (525.65 mM; Need ultrasonic)
Smiles
CCC/C=C\1/C2=C (C=CCC2) C (=O) O1
Molecular Formula
C12H14O2
Molecular Weight
190.24
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Ligustilide

(Z)-ligustilide is a butenolide. It has a role as a metabolite.

CAS Number81944-09-4
PubChem CID5319022
IUPAC Name(3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one
Molecular FormulaC12H14O2
Molecular Weight190.24
XLogP2.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity345
SMILES
CCC/C=C\1/C2=C(C=CCC2)C(=O)O1
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-
InChIKey
IQVQXVFMNOFTMU-FLIBITNWSA-N
Chemical Structure
2D Structure
2D structure of Ligustilide
CAS: 81944-09-4
CID: 5319022
Formula: C12H14O2
MW: 190.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.24
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass190.099379685
Monoisotopic Mass190.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity345
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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MBS3608549-01Ligustilide
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T13670(E) -Ligustilide
A13231-1Ligustilide 1mg
N1901-100Z-Ligustilide
HY-N0401A-01(Z) -Ligustilide

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