Logo Anses
Logo Interreg

Circumdatin e

  • Formula: C20H17N3O4

  • Molecular weight: 363.40

  • Smiles: COC1=CC2=C(C(=C1)O)N=C3C4CCCN4C(=O)C5=CC=CC=C5N3C2=O

  • Type: Benzodiazepine alkaloid

Download

Circumdatin e

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

Names

  • Mycotoxin name: Circumdatin e

  • First synonym: Circumdatin e

  • Synonyms: Circumdatin E,CHEMBL2435956

Identifiers / External links

Structure

  • Smiles: COC1=CC2=C(C(=C1)O)N=C3C4CCCN4C(=O)C5=CC=CC=C5N3C2=O

  • Isomeric smiles: COC1=CC2=C(C(=C1)O)N=C3[C@@H]4CCCN4C(=O)C5=CC=CC=C5N3C2=O

  • Inchi: InChI=1S/C20H17N3O4/c1-27-11-9-13-17(16(24)10-11)21-18-15-7-4-8-22(15)19(25)12-5-2-3-6-14(12)23(18)20(13)26/h2-3,5-6,9-10,15,24H,4,7-8H2,1H3/t15-/m0/s1

  • Inchikey: JIIDXCQQSWFYCR-HNNXBMFYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H17N3O4

  • Molecular weight: 363.40

  • Monoisotopic mass: 363.12190603

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