Logo Anses
Logo Interreg

Epicoccamide

  • Formula: C29H51NO9

  • Molecular weight: 557.70

  • Smiles: CC1C(=O)C(=C(C(C)CCCCCCCCCCCCCCOC2C(C(C(C(O2)CO)O)O)O)O)C(=O)N1C

Download

Epicoccamide

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

Names

  • Mycotoxin name: Epicoccamide

  • First synonym: Epicoccamide

  • Synonyms: Epicoccamide,606139-26-8

Identifiers / External links

Structure

  • Smiles: CC1C(=O)C(=C(C(C)CCCCCCCCCCCCCCOC2C(C(C(C(O2)CO)O)O)O)O)C(=O)N1C

  • Isomeric smiles: CC1C(=O)C(=C(C(C)CCCCCCCCCCCCCCO[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)C(=O)N1C

  • Inchi: InChI=1S/C29H51NO9/c1-19(23(32)22-24(33)20(2)30(3)28(22)37)16-14-12-10-8-6-4-5-7-9-11-13-15-17-38-29-27(36)26(35)25(34)21(18-31)39-29/h19-21,25-27,29,31-32,34-36H,4-18H2,1-3H3/t19?,20?,21-,25-,26+,27+,29-/m1/s1

  • Inchikey: GLMMQSHEMIVRFP-XIECNSLGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H51NO9

  • Molecular weight: 557.70

  • Monoisotopic mass: 557.3563822

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