Ligustilide (BioCAD00000013360)

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Metabolite Card

Formula: C12H14O2 (190.0994)
SMILES: [H]\C(CCC)=C1\OC(=O)C2=C1CCC=C2

Synonyms [en]

Ligustilide; (Z)-ligustilide; ligustilide, (Z)-isomer; 1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-; Z-ligustilide; ligustilide, (E)-isomer

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

Ligustilide. 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China. https://biocad_registry.innovation.ac.cn/s/(-)-arctiin (retrieved 2026-01-03) (CAD Registry RN: BioCAD00000013360). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

Ligusticide, also known as ligustilide, (E)-isomer or (Z)-ligustilide, is a member of the class of compounds known as isobenzofurans. Isobenzofurans are organic aromatic compounds containing an isobenzofuran moiety. Ligusticide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Ligusticide can be found in lovage, which makes ligusticide a potential biomarker for the consumption of this food product.

Entity Information

DBLinks

Other DBLinks
  • CAS Registry Number: 4431-01-0
  • CAS Registry Number: 81944-09-4
  • PubChem: 5319022
  • ChEBI: ChEBI:68232
  • HMDB: HMDB0302720
  • KEGG: C16987
  • NCBI MeSH: ligustilide
  • Wikipedia: Ligustilide
  • MoNA: VF-NPL-QEHF027484
  • MoNA: VF-NPL-QEHF027485
  • MoNA: VF-NPL-QEHF027486
  • MoNA: VF-NPL-QEHF027487
  • MoNA: VF-NPL-QEHF027488
  • MoNA: VF-NPL-QEHF027489
  • MoNA: VF-NPL-QEHF027490
  • MoNA: VF-NPL-QEHF027491
  • MoNA: VF-NPL-QEHF027492
  • MoNA: VF-NPL-QEHF027493
  • MoNA: VF-NPL-QEHF027494
  • MoNA: VF-NPL-QEHF027495
  • MoNA: VF-NPL-QEHF027496
  • MoNA: VF-NPL-QEHF027497
  • MoNA: VF-NPL-QEHF027498
  • Metlin: METLIN_71484
  • Coconut NaturalProduct: CNP0257129.0

Class / Ontology

Metabolic Network
ID EC Number Name
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