Chem
J-GLOBAL ID：200907016084303198   Nikkaji number：J175.434C

Meleagrine

メレアグリン
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： C23H23N5O4
Molecular formula furigana： C23-H23-N5-O4
Molecular weight： 433.468
InChI： InChI=1S/C23H23N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-13,29H,1H2,2-4H3,(H,24,25)(H,26,30)/b17-10+/t22-,23-/m0/s1
InChI key： JTJJJLSLKZFEPJ-ZAYCRUKZSA-N
SMILES： CON1c2ccccc2[C@@]2(C=C(O)C(=O)N3/C(=C/c4c[nH]cn4)/C(=O)N[C@@]123)C(C)(C)C=C
Systematic name  (4)：
  • [3E,7aR,12aS,(-)]-7a-(1,1-ジメチル-2-プロペニル)-7a,12-ジヒドロ-6-ヒドロキシ-3-(1H-イミダゾール-4-イルメチレン)-12-メトキシ-1H,5H-イミダゾ[1′,2′:1,2]ピリド[2,3-b]インドール-2(3H),5-ジオン
  • (7aR,12aS)-7a-(1,1-ジメチル-2-プロペニル)-7a,12-ジヒドロ-3-[(E)-(1H-イミダゾール-4-イル)メチレン]-6-ヒドロキシ-12-メトキシ-1H,5H-イミダゾ[1′,2′:1,2]ピリド[2,3-b]インドール-2,5(3H)-ジオン
  • (1S,9R,14E)-11-ヒドロキシ-14-[(1H-イミダゾール-4-イル)メチリデン]-2-メトキシ-9-(2-メチルブタ-3-エン-2-イル)-2,13,16-トリアザテトラシクロ[7.7.0.01,13.03,8]ヘキサデカ-3,5,7,10-テトラエン-12,15-ジオン
  • (1S,9R,14E)-11-hydroxy-14-[(1H-imidazol-4-yl)methylidene]-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione
Other name (6)：
  • Meleagrine
  • メレアグリン
  • (7aR,12aS)-7a-(1,1-Dimethyl-2-propenyl)-7a,12-dihydro-3-[(E)-(1H-imidazole-4-yl)methylene]-6-hydroxy-12-methoxy-1H,5H-imidazo[1′,2′:1,2]pyrido[2,3-b]indole-2,5(3H)-dione
  • [3E,7aR,12aS,(-)]-7a-(1,1-Dimethyl-2-propenyl)-7a,12-dihydro-6-hydroxy-3-(1H-imidazole-4-ylmethylene)-12-methoxy-1H,5H-imidazo[1′,2′:1,2]pyrido[2,3-b]indole-2(3H),5-dione
  • メレアグリンA
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CAS registry number： 71751-77-4
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