Logo Anses
Logo Interreg

Penicitrinol e

  • Formula: C16H22O4

  • Molecular weight: 278.34

  • Smiles: CC1C(OC2CC(OC3=C2C1=C(C(=C3)O)C)(C)OC)C

Download

Penicitrinol e

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

Names

  • Mycotoxin name: Penicitrinol e

  • First synonym: Penicitrinol e

  • Synonyms: Penicitrinol E,CHEMBL3422276

Identifiers / External links

Structure

  • Smiles: CC1C(OC2CC(OC3=C2C1=C(C(=C3)O)C)(C)OC)C

  • Isomeric smiles: C[C@@H]1[C@H](O[C@@H]2C[C@](OC3=C2C1=C(C(=C3)O)C)(C)OC)C

  • Inchi: InChI=1S/C16H22O4/c1-8-10(3)19-13-7-16(4,18-5)20-12-6-11(17)9(2)14(8)15(12)13/h6,8,10,13,17H,7H2,1-5H3/t8-,10-,13-,16-/m1/s1

  • Inchikey: DIFREUFYEBCDCG-YZTUOPDFSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C16H22O4

  • Molecular weight: 278.34

  • Monoisotopic mass: 278.15180918

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