Logo Anses
Logo Interreg

Herquline C

  • Formula: C19H26N2O2

  • Molecular weight: 314.40

  • Smiles: CN1CC2CC3=CC(C4C=C(CCC4=O)CC1CN2)C(=O)CC3

Download

Herquline C

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

Names

  • Mycotoxin name: Herquline C

  • First synonym: None

  • Synonyms: herquline C,(+)-herquline C,CHEBI:229729,(1S,7R,8R,14S)-15-methyl-15,17-diazatetracyclo[12.2.2.1(3,7).1(8,12)]icosa-3(20),12(19)-diene-6,9-dione

Identifiers / External links

Structure

  • Smiles: CN1CC2CC3=CC(C4C=C(CCC4=O)CC1CN2)C(=O)CC3

  • Isomeric smiles: CN1C[C@@H]2CC3=C[C@H]([C@H]4C=C(CCC4=O)C[C@H]1CN2)C(=O)CC3

  • Inchi: InChI=1S/C19H26N2O2/c1-21-11-14-6-12-2-4-18(22)16(8-12)17-9-13(3-5-19(17)23)7-15(21)10-20-14/h8-9,14-17,20H,2-7,10-11H2,1H3/t14-,15-,16+,17+/m0/s1

  • Inchikey: IKEHAWAEPHQJSM-MWDXBVQZSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C19H26N2O2

  • Molecular weight: 314.40

  • Monoisotopic mass: 314.199428076

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