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Unguisin C

  • Formula: C40H54N8O8

  • Molecular weight: 774.90

  • Smiles: CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCC(=O)N1)CC2=CNC3=CC=CC=C32)CO)C(C)C)CC4=CC=CC=C4)C(C)C

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Unguisin C

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

  • Mycotoxin name: Unguisin C

  • First synonym: None

  • Synonyms: Unguisin C,CHEBI:197841,(3R,6R,9R,12S,15R,18R)-12-benzyl-6-(hydroxymethyl)-3-(1H-indol-3-ylmethyl)-18-methyl-9,15-di(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclotricosane-2,5,8,11,14,17,20-heptone

Identifiers / External links

Structure

  • Smiles: CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCC(=O)N1)CC2=CNC3=CC=CC=C32)CO)C(C)C)CC4=CC=CC=C4)C(C)C

  • Isomeric smiles: C[C@@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCCCC(=O)N1)CC2=CNC3=CC=CC=C32)CO)C(C)C)CC4=CC=CC=C4)C(C)C

  • Inchi: InChI=1S/C40H54N8O8/c1-22(2)33-39(55)45-29(18-25-12-7-6-8-13-25)37(53)48-34(23(3)4)40(56)46-31(21-49)38(54)44-30(19-26-20-42-28-15-10-9-14-27(26)28)36(52)41-17-11-16-32(50)43-24(5)35(51)47-33/h6-10,12-15,20,22-24,29-31,33-34,42,49H,11,16-19,21H2,1-5H3,(H,41,52)(H,43,50)(H,44,54)(H,45,55)(H,46,56)(H,47,51)(H,48,53)/t24-,29+,30-,31-,33-,34-/m1/s1

  • Inchikey: DYUXTXRHHWGWDU-FAPNWWIJSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C40H54N8O8

  • Molecular weight: 774.90

  • Monoisotopic mass: 774.40646071

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