Logo Anses
Logo Interreg

Paraherquamide c

  • Formula: C28H33N3O4

  • Molecular weight: 475.60

  • Smiles: CC1(C=COC2=C(O1)C=CC3=C2NC(=O)C34CC56CN7CCC(=C)C7(CC5C4(C)C)C(=O)N6C)C

Download

Paraherquamide c

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

Names

  • Mycotoxin name: Paraherquamide c

  • First synonym: None

  • Synonyms:

Identifiers / External links

Structure

  • Smiles: CC1(C=COC2=C(O1)C=CC3=C2NC(=O)C34CC56CN7CCC(=C)C7(CC5C4(C)C)C(=O)N6C)C

  • Isomeric smiles: CC1(C=COC2=C(O1)C=CC3=C2NC(=O)C34C[C@]56CN7CCC(=C)[C@@]7(C[C@@H]5C4(C)C)C(=O)N6C)C

  • Inchi: InChI=1S/C28H33N3O4/c1-16-9-11-31-15-26-14-27(25(4,5)19(26)13-28(16,31)23(33)30(26)6)17-7-8-18-21(20(17)29-22(27)32)34-12-10-24(2,3)35-18/h7-8,10,12,19H,1,9,11,13-15H2,2-6H3,(H,29,32)/t19-,26+,27?,28+/m1/s1

  • Inchikey: XSESDTUYLDKCBE-VMLNKLAZSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H33N3O4

  • Molecular weight: 475.60

  • Monoisotopic mass: 475.24710654

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

  • Fungi id Species