Chem
J-GLOBAL ID:200907083272752110   Nikkaji number:J19.938I

Leonurine

レオヌリン
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: C14H21N3O5
Molecular formula furigana: C14-H21-N3-O5
Molecular weight: 311.338
InChI: InChI=1S/C14H21N3O5/c1-20-10-7-9(8-11(21-2)12(10)18)13(19)22-6-4-3-5-17-14(15)16/h7-8,18H,3-6H2,1-2H3,(H4,15,16,17)
InChI key: WNGSUWLDMZFYNZ-UHFFFAOYSA-N
SMILES: COc1cc(cc(OC)c1O)C(=O)OCCCCNC(=N)N
Systematic name  (4):
  • 4-ヒドロキシ-3,5-ジメトキシ安息香酸4-[(アミノイミノメチル)アミノ]ブチル
  • 4-ヒドロキシ-3,5-ジメトキシ安息香酸4-グアニジノブチル
  • 4-カルバムイミドアミドブチル 4-ヒドロキシ-3,5-ジメトキシベンゾアート
  • 4-carbamimidamidobutyl 4-hydroxy-3,5-dimethoxybenzoate
Other name (5):
  • レオヌリン
  • Leonurine
  • 4-Hydroxy-3,5-dimethoxybenzoic acid 4-guanidinobutyl ester
  • シリンガ酸ζ-グアニジノブチル
  • Syringic acid ζ-guanidinobutyl ester
CAS registry number: 24697-74-3
KEGG COMPOUND: C16985
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