Logo Anses
Logo Interreg

Berkeleyamide b

  • Formula: C20H21NO6

  • Molecular weight: 371.40

  • Smiles: CC(C)CC(=O)NC(=O)C1=COC(=CC1=O)C(C2=CC=CC=C2)OC(=O)C

Download

Berkeleyamide b

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

Names

  • Mycotoxin name: Berkeleyamide b

  • First synonym: Berkeleyamide b

  • Synonyms: Berkeleyamide B,CHEMBL468640

Identifiers / External links

Structure

  • Smiles: CC(C)CC(=O)NC(=O)C1=COC(=CC1=O)C(C2=CC=CC=C2)OC(=O)C

  • Isomeric smiles: CC(C)CC(=O)NC(=O)C1=COC(=CC1=O)C(C2=CC=CC=C2)OC(=O)C

  • Inchi: InChI=1S/C20H21NO6/c1-12(2)9-18(24)21-20(25)15-11-26-17(10-16(15)23)19(27-13(3)22)14-7-5-4-6-8-14/h4-8,10-12,19H,9H2,1-3H3,(H,21,24,25)

  • Inchikey: VDFNZTMTSRBUGD-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H21NO6

  • Molecular weight: 371.40

  • Monoisotopic mass: 371.13688739

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