Logo Anses
Logo Interreg

Monaphilone a

  • Formula: C22H32O4

  • Molecular weight: 360.50

  • Smiles: CCCCCCCC(=O)CC1CC2=C(COC(=C2)C=CC)C(=O)C1(C)O

Download

Monaphilone a

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

Names

  • Mycotoxin name: Monaphilone a

  • First synonym: Monaphilone a

  • Synonyms: Monaphilone A

Identifiers / External links

Structure

  • Smiles: CCCCCCCC(=O)CC1CC2=C(COC(=C2)C=CC)C(=O)C1(C)O

  • Isomeric smiles: CCCCCCCC(=O)C[C@H]1CC2=C(COC(=C2)/C=C/C)C(=O)[C@]1(C)O

  • Inchi: InChI=1S/C22H32O4/c1-4-6-7-8-9-11-18(23)14-17-12-16-13-19(10-5-2)26-15-20(16)21(24)22(17,3)25/h5,10,13,17,25H,4,6-9,11-12,14-15H2,1-3H3/b10-5+/t17-,22-/m1/s1

  • Inchikey: KEBWHEAOCGBCRK-KCRKHPKBSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H32O4

  • Molecular weight: 360.50

  • Monoisotopic mass: 360.2300595

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