Logo Anses
Logo Interreg

Betavulgarin

  • Formula: C17H12O6

  • Molecular weight: 312.27

  • Smiles: COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=CC=C4O

Download

Betavulgarin

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

Names

  • Mycotoxin name: Betavulgarin

  • First synonym: Betavulgarin

  • Synonyms: Betavulgarin,51068-94-1,UNII-6ZPC914C84,6ZPC914C84,2'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone,7-(2-hydroxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one,CHEBI:3081,DTXSID30331899,LMPK12050361,8H-1,3-Dioxolo(4,5-g)(1)benzopyran-8-one, 7-(2-hydroxyphenyl)-9-methoxy-,2'-hydroxy-6,7-methylenedioxy-5-methoxyisoflavone,Q27105938,7-(2-hydroxyphenyl)-9-methoxy-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-8-one

Identifiers / External links

Structure

  • Smiles: COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=CC=C4O

  • Isomeric smiles: COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=CC=C4O

  • Inchi: InChI=1S/C17H12O6/c1-20-17-14-12(6-13-16(17)23-8-22-13)21-7-10(15(14)19)9-4-2-3-5-11(9)18/h2-7,18H,8H2,1H3

  • Inchikey: NDVRQFZUJRMKKP-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C17H12O6

  • Molecular weight: 312.27

  • Monoisotopic mass: 312.0633881

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