Logo Anses
Logo Interreg

Tryptoquivaline e

  • Formula: C22H18N4O5

  • Molecular weight: 418.40

  • Smiles: CC1C(=O)N2C(N1O)C3(CC(C(=O)O3)N4C=NC5=CC=CC=C5C4=O)C6=CC=CC=C62

Download

Tryptoquivaline e

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

Names

  • Mycotoxin name: Tryptoquivaline e

  • First synonym: Tryptoquivaline e

  • Synonyms: Tryptoquivaline E,UNII-2AUV4V03RU,2AUV4V03RU,Fumitremorgin E,Q27254490,Spiro(furan-2(5H),9'-(9H)imidazo(1,2-a)indole)-3',5(2'H)-dione, 1',3,4,9'a-tetrahydro-1'-hydroxy-2'-methyl-4-(4-oxo-3(4H)-quinazolinyl)-, (2'S-(2'alpha,9'beta(S*),9'aalpha))-

Identifiers / External links

Structure

  • Smiles: CC1C(=O)N2C(N1O)C3(CC(C(=O)O3)N4C=NC5=CC=CC=C5C4=O)C6=CC=CC=C62

  • Isomeric smiles: C[C@H]1C(=O)N2[C@@H](N1O)[C@]3(C[C@@H](C(=O)O3)N4C=NC5=CC=CC=C5C4=O)C6=CC=CC=C62

  • Inchi: InChI=1S/C22H18N4O5/c1-12-18(27)25-16-9-5-3-7-14(16)22(21(25)26(12)30)10-17(20(29)31-22)24-11-23-15-8-4-2-6-13(15)19(24)28/h2-9,11-12,17,21,30H,10H2,1H3/t12-,17-,21-,22-/m0/s1

  • Inchikey: LSEZQEFBFFRCNW-DLRNMSQQSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H18N4O5

  • Molecular weight: 418.40

  • Monoisotopic mass: 418.12771969

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