Logo Anses
Logo Interreg

Es-242-3

  • Formula: C34H36O11

  • Molecular weight: 620.60

  • Smiles: CC1C(C2=C(C3=C(C(=CC(=C3)OC)OC)C(=C2CO1)O)C4=C5C(C(OCC5=C(C6=C4C=C(C=C6OC)OC)O)C)OC(=O)C)O

Download

Es-242-3

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

Names

  • Mycotoxin name: Es-242-3

  • First synonym: Es-242-3

  • Synonyms: ES-242-3

Identifiers / External links

Structure

  • Smiles: CC1C(C2=C(C3=C(C(=CC(=C3)OC)OC)C(=C2CO1)O)C4=C5C(C(OCC5=C(C6=C4C=C(C=C6OC)OC)O)C)OC(=O)C)O

  • Isomeric smiles: CC1C(C2=C(C3=C(C(=CC(=C3)OC)OC)C(=C2CO1)O)C4=C5C(C(OCC5=C(C6=C4C=C(C=C6OC)OC)O)C)OC(=O)C)O

  • Inchi: InChI=1S/C34H36O11/c1-14-31(36)29-21(12-43-14)32(37)25-19(8-17(39-4)10-23(25)41-6)27(29)28-20-9-18(40-5)11-24(42-7)26(20)33(38)22-13-44-15(2)34(30(22)28)45-16(3)35/h8-11,14-15,31,34,36-38H,12-13H2,1-7H3

  • Inchikey: UIXDBHLNQHECCU-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C34H36O11

  • Molecular weight: 620.60

  • Monoisotopic mass: 620.22576196

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