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Penochalasin a

  • Formula: C33H35N3O4

  • Molecular weight: 537.60

  • Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C5=CC=C(N5)C(=O)C(=O)C(=C1)C)C(=O)NC4CC6=CNC7=CC=CC=C76)C)C

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Penochalasin a

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

Names

  • Mycotoxin name: Penochalasin a

  • First synonym: Penochalasin a

  • Synonyms: penochalasin A,Penochalasin A1,CHEMBL505879,Q15426991

Identifiers / External links

Structure

  • Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C5=CC=C(N5)C(=O)C(=O)C(=C1)C)C(=O)NC4CC6=CNC7=CC=CC=C76)C)C

  • Isomeric smiles: C[C@H]\1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2(C5=CC=C(N5)C(=O)C(=O)/C(=C1)/C)C(=O)N[C@H]4CC6=CNC7=CC=CC=C76)C)C

  • Inchi: InChI=1S/C33H35N3O4/c1-17-8-7-10-22-30-32(4,40-30)19(3)27-25(15-20-16-34-23-11-6-5-9-21(20)23)36-31(39)33(22,27)26-13-12-24(35-26)29(38)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,25,27,30,34-35H,8,15H2,1-4H3,(H,36,39)/b10-7+,18-14+/t17-,19-,22-,25-,27-,30-,32+,33+/m0/s1

  • Inchikey: VOLUCNCCBUTEQO-KOHYOEEMSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C33H35N3O4

  • Molecular weight: 537.60

  • Monoisotopic mass: 537.26275661

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