Logo Anses
Logo Interreg

Es-242-5

  • Formula: C32H34O9

  • Molecular weight: 562.60

  • Smiles: CC1CC2=C(C3=C(C(=CC(=C3)OC)OC)C(=C2CO1)O)C4=C5C(C(OCC5=C(C6=C4C=C(C=C6OC)OC)O)C)O

Download

Es-242-5

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

Names

  • Mycotoxin name: Es-242-5

  • First synonym: Antibiotic es 242-5

  • Synonyms: Antibiotic ES 242-5,ES-242-5,CHEBI:182223,MCULE-2478360555,136565-70-3,5-(10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol,NCGC00386054-01!5-(10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol

Identifiers / External links

Structure

  • Smiles: CC1CC2=C(C3=C(C(=CC(=C3)OC)OC)C(=C2CO1)O)C4=C5C(C(OCC5=C(C6=C4C=C(C=C6OC)OC)O)C)O

  • Isomeric smiles: CC1CC2=C(C3=C(C(=CC(=C3)OC)OC)C(=C2CO1)O)C4=C5C(C(OCC5=C(C6=C4C=C(C=C6OC)OC)O)C)O

  • Inchi: InChI=1S/C32H34O9/c1-14-7-18-21(12-40-14)31(34)26-19(8-16(36-3)10-23(26)38-5)25(18)28-20-9-17(37-4)11-24(39-6)27(20)32(35)22-13-41-15(2)30(33)29(22)28/h8-11,14-15,30,33-35H,7,12-13H2,1-6H3

  • Inchikey: WPGPKDAIJINNNL-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H34O9

  • Molecular weight: 562.60

  • Monoisotopic mass: 562.22028266

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