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Penicillanthranin b

  • Formula: C28H24O11

  • Molecular weight: 536.50

  • Smiles: CC1C(OC(C2=C(C(=C(C(=C12)C)O)C(=O)O)O)C3=C(C=C4C(=C3O)C(=O)C5=C(C4=O)C=C(C=C5O)CO)O)C

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Penicillanthranin b

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

Names

  • Mycotoxin name: Penicillanthranin b

  • First synonym: Penicillanthranin b

  • Synonyms: Penicillanthranin B,SCHEMBL23522404

Identifiers / External links

Structure

  • Smiles: CC1C(OC(C2=C(C(=C(C(=C12)C)O)C(=O)O)O)C3=C(C=C4C(=C3O)C(=O)C5=C(C4=O)C=C(C=C5O)CO)O)C

  • Isomeric smiles: C[C@@H]1[C@H](O[C@@H](C2=C(C(=C(C(=C12)C)O)C(=O)O)O)C3=C(C=C4C(=C3O)C(=O)C5=C(C4=O)C=C(C=C5O)CO)O)C

  • Inchi: InChI=1S/C28H24O11/c1-8-10(3)39-27(20-16(8)9(2)22(32)21(26(20)36)28(37)38)19-15(31)6-13-18(25(19)35)24(34)17-12(23(13)33)4-11(7-29)5-14(17)30/h4-6,8,10,27,29-32,35-36H,7H2,1-3H3,(H,37,38)/t8-,10-,27-/m1/s1

  • Inchikey: NOXJVOYPWPDNGN-GGZILCNGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H24O11

  • Molecular weight: 536.50

  • Monoisotopic mass: 536.13186158

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