Chem
J-GLOBAL ID:200907055507106934   Nikkaji number:J7.403I

Sinapine

シナピン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C16H24[N+]O5
Molecular formula furigana: C16-H24-N-O5
Molecular weight: 310.369
InChI: InChI=1S/C16H23NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11H,8-9H2,1-5H3/p+1
InChI key: HUJXHFRXWWGYQH-UHFFFAOYSA-O
SMILES: COc1cc(C=CC(=O)OCC[N+](C)(C)C)cc(OC)c1O
Systematic name  (4):
  • 2-[[3-(4-ヒドロキシ-3,5-ジメトキシフェニル)-1-オキソ-2-プロペニル]オキシ]-N,N,N-トリメチルエタンアミニウム
  • N,N,N-トリメチル-2-[3-(3,5-ジメトキシ-4-ヒドロキシフェニル)アクリロイルオキシ]エタンアミニウム
  • (2-{[3-(4-ヒドロキシ-3,5-ジメトキシフェニル)プロパ-2-エノイル]オキシ}エチル)トリメチルアザニウム
  • (2-{[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium
Other name (6):
  • シナピン
  • シナピン酸コリンエステル
  • Sinapine
  • Sinapic acid choline ester
  • 2-[[3-(4-Hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]oxy]-N,N,N-trimethylethanaminium
Show all
CAS registry number: 18696-26-9
KEGG COMPOUND: C00933
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