Logo Anses
Logo Interreg

Viopurpurin

  • Formula: C29H20O11

  • Molecular weight: 544.50

  • Smiles: CC1CC2=CC3=C(C(=C2C(=O)O1)O)C4=C(C5=C(O4)C(=O)C6=C(C5=O)C(=C7C(=C6)CC(OC7=O)C)O)C(=C3O)OC

  • Type: Isocoumarin-dibenzopyran V

Download

Viopurpurin

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

Names

  • Mycotoxin name: Viopurpurin

  • First synonym: Viopurpurin

  • Synonyms: Viopurpurin,UNII-V6WWR8GWPT,V6WWR8GWPT,27178-51-4,Q27291607

Identifiers / External links

Structure

  • Smiles: CC1CC2=CC3=C(C(=C2C(=O)O1)O)C4=C(C5=C(O4)C(=O)C6=C(C5=O)C(=C7C(=C6)CC(OC7=O)C)O)C(=C3O)OC

  • Isomeric smiles: C[C@@H]1CC2=CC3=C(C(=C2C(=O)O1)O)C4=C(C5=C(O4)C(=O)C6=C(C5=O)C(=C7C(=C6)C[C@H](OC7=O)C)O)C(=C3O)OC

  • Inchi: InChI=1S/C29H20O11/c1-8-4-10-6-12-16(22(32)14(10)28(35)38-8)24(34)18-19-25(40-27(18)21(12)31)17-13(20(30)26(19)37-3)7-11-5-9(2)39-29(36)15(11)23(17)33/h6-9,30,32-33H,4-5H2,1-3H3/t8-,9-/m1/s1

  • Inchikey: FATRUFVHELUUPL-RKDXNWHRSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H20O11

  • Molecular weight: 544.50

  • Monoisotopic mass: 544.10056145

Select an endpoint:

Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Sub category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Endpoint Tool Value Unit Comments Reference

Fungi