Logo Anses
Logo Interreg

Paraherquamide f

  • Formula: C28H35N3O4

  • Molecular weight: 477.60

  • Smiles: CC1(C=CC2=C(O1)C=CC3=C2NC(=O)C34CC56CN7CCC(C7(CC5C4(C)C)C(=O)N6C)(C)O)C

Download

Paraherquamide f

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

Names

  • Mycotoxin name: Paraherquamide f

  • First synonym: Vm-54158

  • Synonyms: VM-54158

Identifiers / External links

Structure

  • Smiles: CC1(C=CC2=C(O1)C=CC3=C2NC(=O)C34CC56CN7CCC(C7(CC5C4(C)C)C(=O)N6C)(C)O)C

  • Isomeric smiles: C[C@]1(CCN2[C@]13C[C@@H]4[C@](C2)(C[C@@]5(C4(C)C)C6=C(C7=C(C=C6)OC(C=C7)(C)C)NC5=O)N(C3=O)C)O

  • Inchi: InChI=1S/C28H35N3O4/c1-23(2)10-9-16-18(35-23)8-7-17-20(16)29-21(32)27(17)14-26-15-31-12-11-25(5,34)28(31,22(33)30(26)6)13-19(26)24(27,3)4/h7-10,19,34H,11-15H2,1-6H3,(H,29,32)/t19-,25+,26+,27+,28-/m0/s1

  • Inchikey: MLMCOAUMNMJPGN-QTIVVYAYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H35N3O4

  • Molecular weight: 477.60

  • Monoisotopic mass: 477.26275661

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