Logo Anses
Logo Interreg

Asperugin b

  • Formula: C23H30O5

  • Molecular weight: 386.50

  • Smiles: CC(=CCCC(=CCCC(=CCOC1=C(C=C(C(=C1O)C=O)C=O)O)C)C)C

Download

Asperugin b

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

Names

  • Mycotoxin name: Asperugin b

  • First synonym: Asperugin b

  • Synonyms: Asperugin B,14522-05-5,3,5-dihydroxy-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phthalaldehyde,1,2-Benzenedicarboxaldehyde, 3,5-dihydroxy-4-((3,7,11-trimethyl-2,6,10-dodecatrienyl)oxy)-, (E,E)-

Identifiers / External links

Structure

  • Smiles: CC(=CCCC(=CCCC(=CCOC1=C(C=C(C(=C1O)C=O)C=O)O)C)C)C

  • Isomeric smiles: CC(=CCC/C(=C/CC/C(=C/COC1=C(C=C(C(=C1O)C=O)C=O)O)/C)/C)C

  • Inchi: InChI=1S/C23H30O5/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-12-28-23-21(26)13-19(14-24)20(15-25)22(23)27/h7,9,11,13-15,26-27H,5-6,8,10,12H2,1-4H3/b17-9+,18-11+

  • Inchikey: UDBSZUYIWDXRKO-XURGJTJWSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H30O5

  • Molecular weight: 386.50

  • Monoisotopic mass: 386.20932405

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