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Neoechinulin

  • Formula: C23H25N3O3

  • Molecular weight: 391.50

  • Smiles: CC(=CCC1=CC2=C(C=C1)C(=CC3=C(NC(=O)C(=O)N3)O)C(=N2)C(C)(C)C=C)C

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Neoechinulin

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Neoechinulin

  • First synonym: Neoechinulin

  • Synonyms: Neoechinulin,25644-25-1,Piperazinetrione, [[2-(1,1-dimethyl-2-propenyl)-6-(3-methyl-2-butenyl)-1H-indol-3-yl]methylene]-, (Z)-,Neoechinuline,Piperazinetrione, ((2-(1,1-dimethyl-2-propenyl)-6-(3-methyl-2-butenyl)-1H-indol-3-yl)methylene)-, (Z)-,MFCD08274587,AKOS030213207,2,3,5-Piperazinetrione, 6-[[2-(1,1-dimethylallyl)-6-(3-methyl-2-butenyl)indol-3-yl]methylene]-,Alkaloid E 9, from Aspergillus amstelodami,(6E)-6-([2-(1,1-Dimethyl-2-propenyl)-6-(3-methyl-2-butenyl)-1H-indol-3-yl]methylene)-2,3,5-piperazinetrione #,Piperazinetrione, [[2-(1,1-dimethyl-2-propenyl)-6-(3-methyl-2-butenyl)-1H-indol-3-yl]methylene]-

Identifiers / External links

Structure

  • Smiles: CC(=CCC1=CC2=C(C=C1)C(=CC3=C(NC(=O)C(=O)N3)O)C(=N2)C(C)(C)C=C)C

  • Isomeric smiles: CC(=CCC1=CC2=C(C=C1)/C(=C\C3=C(NC(=O)C(=O)N3)O)/C(=N2)C(C)(C)C=C)C

  • Inchi: InChI=1S/C23H25N3O3/c1-6-23(4,5)19-16(12-18-20(27)26-22(29)21(28)25-18)15-10-9-14(8-7-13(2)3)11-17(15)24-19/h6-7,9-12H,1,8H2,2-5H3,(H,25,28)(H2,26,27,29)/b16-12+

  • Inchikey: WGQHFCXVVFMQEB-FOWTUZBSSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H25N3O3

  • Molecular weight: 391.50

  • Monoisotopic mass: 391.18959167

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