Logo Anses
Logo Interreg

Penigequinolone B

  • Formula: C27H33NO6

  • Molecular weight: 467.60

  • Smiles: CC1(CCC(OC1)(C)C=CC2=C(C3=C(C=C2)NC(=O)C(C3(C4=CC=C(C=C4)OC)O)OC)O)C

  • Type: Quinolinone alkaloid

Download

Penigequinolone B

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

Names

  • Mycotoxin name: Penigequinolone B

  • First synonym: None

  • Synonyms: Penigequinolone B,CHEBI:193560

Identifiers / External links

Structure

  • Smiles: CC1(CCC(OC1)(C)C=CC2=C(C3=C(C=C2)NC(=O)C(C3(C4=CC=C(C=C4)OC)O)OC)O)C

  • Isomeric smiles: C[C@@]1(CCC(CO1)(C)C)/C=C/C2=C(C3=C(C=C2)NC(=O)[C@@H]([C@]3(C4=CC=C(C=C4)OC)O)OC)O

  • Inchi: InChI=1S/C27H33NO6/c1-25(2)14-15-26(3,34-16-25)13-12-17-6-11-20-21(22(17)29)27(31,23(33-5)24(30)28-20)18-7-9-19(32-4)10-8-18/h6-13,23,29,31H,14-16H2,1-5H3,(H,28,30)/b13-12+/t23-,26-,27+/m0/s1

  • Inchikey: CVWJKBJRSZXDIW-NURUMYOOSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H33NO6

  • Molecular weight: 467.60

  • Monoisotopic mass: 467.23078777

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