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Communesin i

  • Formula: C32H40N4O3

  • Molecular weight: 528.70

  • Smiles: CCCC(CC(=O)N1CCC23C1N4CCC25C(NC6=CC=CC=C36)N(C7=CC=CC(=C57)C4C8C(O8)(C)C)C)O

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Communesin i

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

  • Mycotoxin name: Communesin i

  • First synonym: Communesin i

  • Synonyms: Communesin I,SCHEMBL19609073

Identifiers / External links

Structure

  • Smiles: CCCC(CC(=O)N1CCC23C1N4CCC25C(NC6=CC=CC=C36)N(C7=CC=CC(=C57)C4C8C(O8)(C)C)C)O

  • Isomeric smiles: CCC[C@@H](CC(=O)N1CC[C@]23[C@H]1N4CC[C@]25[C@H](NC6=CC=CC=C36)N(C7=CC=CC(=C57)[C@H]4[C@@H]8C(O8)(C)C)C)O

  • Inchi: InChI=1S/C32H40N4O3/c1-5-9-19(37)18-24(38)35-16-14-31-21-11-6-7-12-22(21)33-28-32(31)15-17-36(29(31)35)26(27-30(2,3)39-27)20-10-8-13-23(25(20)32)34(28)4/h6-8,10-13,19,26-29,33,37H,5,9,14-18H2,1-4H3/t19-,26-,27+,28+,29+,31-,32-/m0/s1

  • Inchikey: MDCQGUSSMLOSLN-RQIFQPJOSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H40N4O3

  • Molecular weight: 528.70

  • Monoisotopic mass: 528.31004115

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