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Brevianamide e

  • Formula: C21H25N3O3

  • Molecular weight: 367.40

  • Smiles: CC(C)(C=C)C12C(CC3N1C(=O)C4CCCN4C3=O)(C5=CC=CC=C5N2)O

  • Type: Indole alkaloid (diketopiperazine)

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Brevianamide e

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

Names

  • Mycotoxin name: Brevianamide e

  • First synonym: Brevianamide e

  • Synonyms: Brevianamide E,UNII-CKM5RSM01T,CKM5RSM01T,23454-27-5,DTXSID60946112,1H-Pyrrolo(1'',2'':4',5')pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-5,13(5aH,13aH)-dione, 11a-(1,1-dimethyl-2-propenyl)-2,3,6,6a,11,11a-hexahydro-6a-hydroxy-, (5aS-(5aalpha,6abeta,11abeta,13aalpha))-,6a-Hydroxy-11a-(2-methylbut-3-en-2-yl)-2,3,6,6a,11,11a-hexahydro-1H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-5,13(5aH,13aH)-dione

Identifiers / External links

Structure

  • Smiles: CC(C)(C=C)C12C(CC3N1C(=O)C4CCCN4C3=O)(C5=CC=CC=C5N2)O

  • Isomeric smiles: CC(C)(C=C)[C@@]12[C@@](C[C@@H]3N1C(=O)[C@@H]4CCCN4C3=O)(C5=CC=CC=C5N2)O

  • Inchi: InChI=1S/C21H25N3O3/c1-4-19(2,3)21-20(27,13-8-5-6-9-14(13)22-21)12-16-17(25)23-11-7-10-15(23)18(26)24(16)21/h4-6,8-9,15-16,22,27H,1,7,10-12H2,2-3H3/t15-,16-,20+,21-/m0/s1

  • Inchikey: YAQYEBABECUWBT-AFMUBRCDSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H25N3O3

  • Molecular weight: 367.40

  • Monoisotopic mass: 367.18959167

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