Logo Anses
Logo Interreg

Cyclogregatin

  • Formula: C15H18O4

  • Molecular weight: 262.30

  • Smiles: CCC=CC=CC1(C(=O)C2=C(O1)OC(CC2=O)C)C

Download

Cyclogregatin

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

Names

  • Mycotoxin name: Cyclogregatin

  • First synonym: Cyclogregatin

  • Synonyms: Cyclogregatin,120167-25-1,2-[(1E,3E)-hexa-1,3-dienyl]-2,6-dimethyl-5,6-dihydrofuro[2,3-b]pyran-3,4-dione,4H-Furo(2,3-b)pyran-3,4(2H)-dione, 2-(1,3-hexadienyl)-5,6-dihydro-2,6-dimethyl-

Identifiers / External links

Structure

  • Smiles: CCC=CC=CC1(C(=O)C2=C(O1)OC(CC2=O)C)C

  • Isomeric smiles: CC/C=C/C=C/C1(C(=O)C2=C(O1)OC(CC2=O)C)C

  • Inchi: InChI=1S/C15H18O4/c1-4-5-6-7-8-15(3)13(17)12-11(16)9-10(2)18-14(12)19-15/h5-8,10H,4,9H2,1-3H3/b6-5+,8-7+

  • Inchikey: CELZYTLJFHLTOR-BSWSSELBSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H18O4

  • Molecular weight: 262.30

  • Monoisotopic mass: 262.12050905

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