Chem
J-GLOBAL ID：200907070913429883   Nikkaji number：J3.719B

Anthramycin

アントラマイシン
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： C16H17N3O4
Molecular formula furigana： C16-H17-N3-O4
Molecular weight： 315.329
InChI： InChI=1S/C16H17N3O4/c1-8-2-4-10-13(14(8)21)18-15(22)11-6-9(3-5-12(17)20)7-19(11)16(10)23/h2-5,7,11,15,18,21-22H,6H2,1H3,(H2,17,20)/b5-3+/t11-,15+/m0/s1
InChI key： VGQOVCHZGQWAOI-YQRHFANHSA-N
SMILES： Cc1ccc2c(N[C@H](O)[C@@H]3CC(=CN3C2=O)/C=C/C(=O)N)c1O
Systematic name  (3)：
  • (11R,11aS,βE)-5,10,11,11a-テトラヒドロ-9,11-ジヒドロキシ-8-メチル-5-オキソ-1H-ピロロ[2,1-c][1,4]ベンゾジアゼピン-2-アクリルアミド
  • (2E)-3-[(7S,8R)-8,11-ジヒドロキシ-12-メチル-2-オキソ-3,9-ジアザトリシクロ[8.4.0.03,7]テトラデカ-1(14),4,10,12-テトラエン-5-イル]プロパ-2-エンアミド
  • (2E)-3-[(7S,8R)-8,11-dihydroxy-12-methyl-2-oxo-3,9-diazatricyclo[8.4.0.03,7]tetradeca-1(14),4,10,12-tetraen-5-yl]prop-2-enamide
Other name (4)：
  • アントラマイシン
  • Anthramycin
  • (11R,11aS,βE)-5,10,11,11a-Tetrahydro-9,11-dihydroxy-8-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-acrylamide
  • (11R,11aS,βE)-5,10,11,11a-Tetrahydro-9,11-dihydroxy-8-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepine-2-acrylamide
CAS registry number： 4803-27-4
KEGG DRUG： D02952
Application (1)：
antitumor action
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