Logo Anses
Logo Interreg

Epicorazine C

  • Formula: C18H18N2O7S2

  • Molecular weight: 438.50

  • Smiles: C1C(C(C2C(C1=O)CC34N2C(=O)C5(CC6C(N5C3=O)C(C=CC6=O)O)SS4)O)O

  • Type: Epipolythiopiperazine-3,6-dione

Download

Epicorazine C

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

Names

  • Mycotoxin name: Epicorazine C

  • First synonym: None

  • Synonyms: Epicorazine C,CHEBI:198575,(4S,5S,9S,14S,15R,16S,19R)-5,15,16-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docos-6-ene-2,8,12,18-tetrone

Identifiers / External links

Structure

  • Smiles: C1C(C(C2C(C1=O)CC34N2C(=O)C5(CC6C(N5C3=O)C(C=CC6=O)O)SS4)O)O

  • Isomeric smiles: C1[C@@H]([C@@H]([C@@H]2[C@H](C1=O)CC34N2C(=O)C5(C[C@H]6[C@H](N5C3=O)[C@H](C=CC6=O)O)SS4)O)O

  • Inchi: InChI=1S/C18H18N2O7S2/c21-8-1-2-9(22)12-6(8)4-17-16(27)20-13-7(10(23)3-11(24)14(13)25)5-18(20,29-28-17)15(26)19(12)17/h1-2,6-7,9,11-14,22,24-25H,3-5H2/t6-,7+,9+,11+,12+,13+,14+,17?,18?/m1/s1

  • Inchikey: NCDIBOQDVNONGL-AONPJNASSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H18N2O7S2

  • Molecular weight: 438.50

  • Monoisotopic mass: 438.05554326

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