Chem
J-GLOBAL ID：201507020652526380   Nikkaji number：J3.451.160H

Glandicoline B

グランジコリンB
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： C22H21N5O4
Molecular formula furigana： C22-H21-N5-O4
Molecular weight： 419.441
InChI： InChI=1S/C22H21N5O4/c1-4-20(2,3)21-10-17(28)19(30)26-16(9-13-11-23-12-24-13)18(29)25-22(21,26)27(31)15-8-6-5-7-14(15)21/h4-12,28,31H,1H2,2-3H3,(H,23,24)(H,25,29)/b16-9+/t21-,22-/m0/s1
InChI key： YEVSOYBNHBOQJZ-UNPMEJEESA-N
SMILES： CC(C)(C=C)[C@@]12C=C(O)C(=O)N3/C(=C/c4c[nH]cn4)/C(=O)N[C@@]13N(O)c1ccccc21
Systematic name  (3)：
  • (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-ヒドロキシ-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)-2,11-ジヒドロキシ-14-[(1H-イミダゾール-4-イル)メチリデン]-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)-2,11-dihydroxy-14-[(1H-imidazol-4-yl)methylidene]-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 (3)：
  • (7aR,12aS)-7a-(1,1-Dimethyl-2-propenyl)-7a,12-dihydro-3-[(E)-(1H-imidazole-4-yl)methylene]-6-hydroxy-12-hydroxy-1H,5H-imidazo[1′,2′:1,2]pyrido[2,3-b]indole-2,5(3H)-dione
  • グランジコリンB
  • Glandicoline B
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