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Demethoxyfumitremorgin c

  • Formula: C21H23N3O2

  • Molecular weight: 349.40

  • Smiles: CC(=CC1C2=C(CC3N1C(=O)C4CCCN4C3=O)C5=CC=CC=C5N2)C

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Demethoxyfumitremorgin c

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

Names

  • Mycotoxin name: Demethoxyfumitremorgin c

  • First synonym: Demethoxyfumitremorgin c

  • Synonyms: demethoxyfumitremorgin C,111768-16-2,CHEBI:72767,(1S,12S,15S)-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4,6,8-tetraene-14,20-dione,(5aS,12S,14aS)-12-(2-methylprop-1-en-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione,(5aS,12S,14aS)-12-(2-Methylprop-1-en-1-yl)-1,2,3,5a,6,14a-hexahydropyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14(11H,12H)-dione,CHEMBL39346,SCHEMBL6418225,Q27140133

Identifiers / External links

Structure

  • Smiles: CC(=CC1C2=C(CC3N1C(=O)C4CCCN4C3=O)C5=CC=CC=C5N2)C

  • Isomeric smiles: CC(=C[C@H]1C2=C(C[C@@H]3N1C(=O)[C@@H]4CCCN4C3=O)C5=CC=CC=C5N2)C

  • Inchi: InChI=1S/C21H23N3O2/c1-12(2)10-17-19-14(13-6-3-4-7-15(13)22-19)11-18-20(25)23-9-5-8-16(23)21(26)24(17)18/h3-4,6-7,10,16-18,22H,5,8-9,11H2,1-2H3/t16-,17-,18-/m0/s1

  • Inchikey: LQXCSIKDOISJTI-BZSNNMDCSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H23N3O2

  • Molecular weight: 349.40

  • Monoisotopic mass: 349.17902698

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