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Gliocladin A

  • Formula: C24H24N4O3S2

  • Molecular weight: 480.60

  • Smiles: CN1C(C(=O)N2C3C(C(C2(C1=O)SC)O)(C4=CC=CC=C4N3)C5=CNC6=CC=CC=C65)SC

  • Type: Epipolythiopiperazine-3,6-dione

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Gliocladin A

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

Names

  • Mycotoxin name: Gliocladin A

  • First synonym: None

  • Synonyms: Gliocladin A,(1R,7S,8S,9R)-8-Hydroxy-9-(1H-indol-3-yl)-5-methyl-4,7-bis(methylsulfanyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione,(1R,7S,8S,9R)-8-hydroxy-9-(1H-indol-3-yl)-5-methyl-4,7-bis(methylsulfanyl)-2,5,16-triazatetracyclo(7.7.0.02,7.010,15)hexadeca-10,12,14-triene-3,6-dione,749216-45-3

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Structure

  • Smiles: CN1C(C(=O)N2C3C(C(C2(C1=O)SC)O)(C4=CC=CC=C4N3)C5=CNC6=CC=CC=C65)SC

  • Isomeric smiles: CN1C(C(=O)N2[C@@H]3[C@]([C@@H]([C@@]2(C1=O)SC)O)(C4=CC=CC=C4N3)C5=CNC6=CC=CC=C65)SC

  • Inchi: InChI=1S/C24H24N4O3S2/c1-27-19(32-2)18(29)28-21-23(14-9-5-7-11-17(14)26-21,20(30)24(28,33-3)22(27)31)15-12-25-16-10-6-4-8-13(15)16/h4-12,19-21,25-26,30H,1-3H3/t19?,20-,21+,23+,24-/m0/s1

  • Inchikey: JRTACGAFPBCZMH-MCQOMSOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C24H24N4O3S2

  • Molecular weight: 480.60

  • Monoisotopic mass: 480.12898299

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