Chem
J-GLOBAL ID：200907040566829772   Nikkaji number：J476.063H

Phellodendrine

フェロデンドリン
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： C20H24[N+]O4
Molecular formula furigana： C20-H24-N-O4
Molecular weight： 342.414
InChI： InChI=1S/C20H23NO4/c1-21-5-4-12-8-19(24-2)18(23)10-15(12)16(21)6-13-7-17(22)20(25-3)9-14(13)11-21/h7-10,16H,4-6,11H2,1-3H3,(H-,22,23)/p+1/t16-,21-/m0/s1
InChI key： RBBVPNQTBKHOEQ-KKSFZXQISA-O
SMILES： COc1cc2C[N@+]3(C)CCc4cc(OC)c(O)cc4[C@@H]3Cc2cc1O
Systematic name  (3)：
  • (7S)-5,8,13,13aα-テトラヒドロ-2,11-ジヒドロキシ-3,10-ジメトキシ-7α-メチル-6H-ジベンゾ[a,g]キノリジニウム
  • (6S,12bS)-2,11-ジヒドロキシ-3,10-ジメトキシ-6-メチル-5,6,7,8,12b,13-ヘキサヒドロ-6-アザテトラフェン-6-イウム
  • (6S,12bS)-2,11-dihydroxy-3,10-dimethoxy-6-methyl-5,6,7,8,12b,13-hexahydro-6-azatetraphen-6-ium
Other name (6)：
  • フェロデンドリン
  • Phellodendrine
  • (-)-フェロデンドリン
  • (-)-Phellodendrine
  • N-メチルコレキシミン
Show all
CAS registry number： 6873-13-8
KEGG COMPOUND： C17046
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