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Protocercosporin

  • Formula: C27H20O9

  • Molecular weight: 488.40

  • Smiles: CC1CC23CC4=C5C2=C6C7=C8C5=C(C(=O)C=C8OCOC7=CC(=O)C6=C(C3(O1)OC)O)C(=C4OC)O

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Protocercosporin

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

Names

  • Mycotoxin name: Protocercosporin

  • First synonym: 81904-20-3

  • Synonyms: 81904-20-3,PROTOCERCOSPORIN,DTXSID60639299,NSC337253,NSC-337253,(8aS,10R,11aS)-7,14-Dihydroxy-8a,13-dimethoxy-10-methyl-10,11-dihydro-4H-cyclopenta[6,7]furo[2',3':5,6]perylo[1,12-def][1,3]dioxepine-1,8(8aH,12H)-dione

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Structure

  • Smiles: CC1CC23CC4=C5C2=C6C7=C8C5=C(C(=O)C=C8OCOC7=CC(=O)C6=C(C3(O1)OC)O)C(=C4OC)O

  • Isomeric smiles: C[C@@H]1C[C@@]23CC4=C5C2=C6C7=C8C5=C(C(=O)C=C8OCOC7=CC(=O)C6=C([C@]3(O1)OC)O)C(=C4OC)O

  • Inchi: InChI=1S/C27H20O9/c1-9-6-26-7-10-15-20-16(23(30)24(10)32-2)11(28)4-13-18(20)19-14(35-8-34-13)5-12(29)17(21(19)22(15)26)25(31)27(26,33-3)36-9/h4-5,9,30-31H,6-8H2,1-3H3/t9-,26-,27-/m1/s1

  • Inchikey: ZXIFNPWPBOQSKU-MKOFOEGOSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H20O9

  • Molecular weight: 488.40

  • Monoisotopic mass: 488.11073221

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Fungi

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