Logo Anses
Logo Interreg

Ak-toxin ii

  • Formula: C22H25NO6

  • Molecular weight: 399.40

  • Smiles: CC(=O)NC(CC1=CC=CC=C1)C(=O)OC(C=CC=CC=CC(=O)O)C2(CO2)C

Download

Ak-toxin ii

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

Names

  • Mycotoxin name: Ak-toxin ii

  • First synonym: Ak-toxin ii

  • Synonyms: AK-Toxin II,85146-10-7,(R,2E,4Z,6E)-8-((acetyl-L-phenylalanyl)oxy)-8-((S)-2-methyloxiran-2-yl)octa-2,4,6-trienoic acid,AK-toxin ll,(2E,4Z,6E,8R)-8-[(2S)-2-acetamido-3-phenylpropanoyl]oxy-8-[(2S)-2-methyloxiran-2-yl]octa-2,4,6-trienoic acid,L-Phenylalanine, N-acetyl-, 7-carboxy-1-(2-methyloxiranyl)-2,4,6-heptatrienyl ester, (2S-(2R*(1S*,2E,4Z,6E)))-

Identifiers / External links

Structure

  • Smiles: CC(=O)NC(CC1=CC=CC=C1)C(=O)OC(C=CC=CC=CC(=O)O)C2(CO2)C

  • Isomeric smiles: CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O[C@H](/C=C/C=C\C=C\C(=O)O)[C@@]2(CO2)C

  • Inchi: InChI=1S/C22H25NO6/c1-16(24)23-18(14-17-10-6-5-7-11-17)21(27)29-19(22(2)15-28-22)12-8-3-4-9-13-20(25)26/h3-13,18-19H,14-15H2,1-2H3,(H,23,24)(H,25,26)/b4-3-,12-8+,13-9+/t18-,19+,22-/m0/s1

  • Inchikey: UKDOGRQIIQQZBO-ARSRSNJNSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H25NO6

  • Molecular weight: 399.40

  • Monoisotopic mass: 399.16818752

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