Logo Anses
Logo Interreg

Mellamide

  • Formula: C23H31N3O2

  • Molecular weight: 381.50

  • Smiles: CC(C)C(C(=O)NC=CC1=CNC2=C1C=CC=C2C(C)(C)C=C)N(C)C(=O)C

  • Type: Indole

Download

Mellamide

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

Names

  • Mycotoxin name: Mellamide

  • First synonym: None

  • Synonyms: Mellamide,2-(acetyl(methyl)amino)-3-methyl-N-((E)-2-(7-(2-methylbut-3-en-2-yl)-1H-indol-3-yl)ethenyl)butanamide,2-[acetyl(methyl)amino]-3-methyl-N-[(E)-2-[7-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethenyl]butanamide,3-Methyl-N-((Z)-2-(7-(2-methylbut-3-en-2-yl)-1H-indol-3-yl)ethenyl)-2-(N-methylacetamido)butanimidate,3-Methyl-N-[(Z)-2-[7-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethenyl]-2-(N-methylacetamido)butanimidate

Identifiers / External links

Structure

  • Smiles: CC(C)C(C(=O)NC=CC1=CNC2=C1C=CC=C2C(C)(C)C=C)N(C)C(=O)C

  • Isomeric smiles: CC(C)C(C(=O)N/C=C\C1=CNC2=C1C=CC=C2C(C)(C)C=C)N(C)C(=O)C

  • Inchi: InChI=1S/C23H31N3O2/c1-8-23(5,6)19-11-9-10-18-17(14-25-20(18)19)12-13-24-22(28)21(15(2)3)26(7)16(4)27/h8-15,21,25H,1H2,2-7H3,(H,24,28)/b13-12-

  • Inchikey: KIEYKCOFHFINQI-SEYXRHQNSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H31N3O2

  • Molecular weight: 381.50

  • Monoisotopic mass: 381.24162724

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