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Neoechinulin c

  • Formula: C24H27N3O2

  • Molecular weight: 389.50

  • Smiles: CC(=CCC1=CC2=C(C=C1)C(=C(N2)C(C)(C)C=C)C=C3C(=O)NC(=C)C(=O)N3)C

  • Type: Indole dipeptide 23

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Neoechinulin c

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

Names

  • Mycotoxin name: Neoechinulin c

  • First synonym: Neoechinulin c

  • Synonyms: Neoechinulin C,Cryptoechinuline A,UNII-X3GI5U3718,X3GI5U3718,55179-54-9,Neoechinuline C,Cryptoechinulin-a,Cryptoechinulin A,Alkaloid E 8, from aspergillus amstelodami,Q27896934,(3Z)-3-((2-(1,1-Dimethyl-2-propen-1-yl)-6-(3-methyl-2-buten-1-yl)-1H-indol-3-yl)methylene)-6-methylene-2,5-piperazinedione,2,5-Piperazinedione, 3-((2-(1,1-dimethyl-2-propen-1-yl)-6-(3-methyl-2-buten-1-yl)-1H-indol-3-yl)methylene)-6-methylene-, (3Z)-

Identifiers / External links

Structure

  • Smiles: CC(=CCC1=CC2=C(C=C1)C(=C(N2)C(C)(C)C=C)C=C3C(=O)NC(=C)C(=O)N3)C

  • Isomeric smiles: CC(=CCC1=CC2=C(C=C1)C(=C(N2)C(C)(C)C=C)/C=C\3/C(=O)NC(=C)C(=O)N3)C

  • Inchi: InChI=1S/C24H27N3O2/c1-7-24(5,6)21-18(13-20-23(29)25-15(4)22(28)27-20)17-11-10-16(9-8-14(2)3)12-19(17)26-21/h7-8,10-13,26H,1,4,9H2,2-3,5-6H3,(H,25,29)(H,27,28)/b20-13-

  • Inchikey: WXWNIBJUIDHOOC-MOSHPQCFSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C24H27N3O2

  • Molecular weight: 389.50

  • Monoisotopic mass: 389.21032711

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