Logo Anses
Logo Interreg

Quinolactacin a1

  • Formula: C16H18N2O2

  • Molecular weight: 270.33

  • Smiles: CCC(C)C1C2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1

Download

Quinolactacin a1

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

Names

  • Mycotoxin name: Quinolactacin a1

  • First synonym: (+)-quinolactacin a1

  • Synonyms: (+)-Quinolactacin A1,Quinolactacin A1,815576-68-2,(3R)-2,3-dihydro-4-methyl-3-[(1S)-1-methylpropyl]-1H-pyrrolo[3,4-b]quinoline-1,9(4H)-dione,ZINC14684867,(3R)-3-[(2S)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,9-dione

Identifiers / External links

  • CAS: 815576-68-2,386211-68-3

  • PubChem CID: 26202199

Structure

  • Smiles: CCC(C)C1C2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1

  • Isomeric smiles: CC[C@H](C)[C@@H]1C2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1

  • Inchi: InChI=1S/C16H18N2O2/c1-4-9(2)13-14-12(16(20)17-13)15(19)10-7-5-6-8-11(10)18(14)3/h5-9,13H,4H2,1-3H3,(H,17,20)/t9-,13+/m0/s1

  • Inchikey: FLHQAMWKNPOTDV-TVQRCGJNSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C16H18N2O2

  • Molecular weight: 270.33

  • Monoisotopic mass: 270.136827821

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