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Okaramine j

  • Formula: C32H36N4O3

  • Molecular weight: 524.70

  • Smiles: CC(=CCC1=C2C(=CC=C1)C3(CC4C(=O)NC(C(=O)N4C3N2)CC5=C(NC6=CC=CC=C65)C(C)(C)C=C)O)C

  • Type: Cyclopeptide

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Okaramine j

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

Names

  • Mycotoxin name: Okaramine j

  • First synonym: (+)-okaramine j

  • Synonyms: (+)-Okaramine J,Okaramine J_120151

Identifiers / External links

Structure

  • Smiles: CC(=CCC1=C2C(=CC=C1)C3(CC4C(=O)NC(C(=O)N4C3N2)CC5=C(NC6=CC=CC=C65)C(C)(C)C=C)O)C

  • Isomeric smiles: CC(=CCC1=C2C(=CC=C1)[C@]3(C[C@H]4C(=O)N[C@H](C(=O)N4[C@H]3N2)CC5=C(NC6=CC=CC=C65)C(C)(C)C=C)O)C

  • Inchi: InChI=1S/C32H36N4O3/c1-6-31(4,5)27-21(20-11-7-8-13-23(20)33-27)16-24-29(38)36-25(28(37)34-24)17-32(39)22-12-9-10-19(15-14-18(2)3)26(22)35-30(32)36/h6-14,24-25,30,33,35,39H,1,15-17H2,2-5H3,(H,34,37)/t24-,25-,30+,32-/m0/s1

  • Inchikey: IILJSEXGGMGEMF-ZCEPNZLZSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H36N4O3

  • Molecular weight: 524.70

  • Monoisotopic mass: 524.27874102

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