Chem
J-GLOBAL ID：200907029965013260   Nikkaji number：J412.161I

Polycarpine

ポリカルピン
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： C21H23NO6
Molecular formula furigana： C21-H23-N-O6
Molecular weight： 385.416
InChI： InChI=1S/C21H23NO6/c1-25-17-6-5-14(20(24)21(17)28-4)9-16-15-11-19(27-3)18(26-2)10-13(15)7-8-22(16)12-23/h5-6,9-12,24H,7-8H2,1-4H3/b16-9-
InChI key： YYHGQOLZRYICRS-SXGWCWSVSA-N
SMILES： COc1cc2CCN(C=O)/C(=C\c3ccc(OC)c(OC)c3O)/c2cc1OC
Systematic name  (3)：
  • (Z)-3,4-ジヒドロ-1-(2-ヒドロキシ-3,4-ジメトキシベンジリデン)-6,7-ジメトキシイソキノリン-2(1H)-カルボアルデヒド
  • (1Z)-1-[(2-ヒドロキシ-3,4-ジメトキシフェニル)メチリデン]-6,7-ジメトキシ-1,2,3,4-テトラヒドロイソキノリン-2-カルバルデヒド
  • (1Z)-1-[(2-hydroxy-3,4-dimethoxyphenyl)methylidene]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbaldehyde
Other name (3)：
  • ポリカルピン
  • Polycarpine
  • (Z)-3,4-Dihydro-1-(2-hydroxy-3,4-dimethoxybenzylidene)-6,7-dimethoxyisoquinoline-2(1H)-carbaldehyde
CAS registry number： 63490-92-6
KEGG COMPOUND： C09610
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