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6-hydroxydeoxybrevianamide e

  • Formula: C21H25N3O3

  • Molecular weight: 367.40

  • Smiles: CC(C)(C=C)C1=C(C2=C(N1)C=C(C=C2)O)CC3C(=O)N4CCCC4C(=O)N3

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6-hydroxydeoxybrevianamide e

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

  • Mycotoxin name: 6-hydroxydeoxybrevianamide e

  • First synonym: 6-hydroxydeoxybrevianamide e

  • Synonyms: 6-Hydroxydeoxybrevianamide E,6-hydroxy-deoxybrevianamide E,CHEBI:145682,(3S,8aS)-3-[[2-(1,1-Dimethyl-2-propenyl)-6-hydroxy-1H-indole-3-yl]methyl]octahydropyrrolo[1,2-a]pyrazine-1,4-dione

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Structure

  • Smiles: CC(C)(C=C)C1=C(C2=C(N1)C=C(C=C2)O)CC3C(=O)N4CCCC4C(=O)N3

  • Isomeric smiles: CC(C)(C=C)C1=C(C2=C(N1)C=C(C=C2)O)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3

  • Inchi: InChI=1S/C21H25N3O3/c1-4-21(2,3)18-14(13-8-7-12(25)10-15(13)22-18)11-16-20(27)24-9-5-6-17(24)19(26)23-16/h4,7-8,10,16-17,22,25H,1,5-6,9,11H2,2-3H3,(H,23,26)/t16-,17-/m0/s1

  • Inchikey: DHOZDQLRUFUUQZ-IRXDYDNUSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H25N3O3

  • Molecular weight: 367.40

  • Monoisotopic mass: 367.18959167

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