Logo Anses
Logo Interreg

Phomopsichalasin

  • Formula: C32H41NO4

  • Molecular weight: 503.70

  • Smiles: CC1CCC2C3C(C(=CC2(C1)C)C)C4(C=C(C(C5C4(C3=O)C(=O)NC5(CC6=CC=C(C=C6)O)O)C)C)C

Download

Phomopsichalasin

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

Names

  • Mycotoxin name: Phomopsichalasin

  • First synonym: Phomopsichalasin

  • Synonyms: Phomopsichalasin

Identifiers / External links

Structure

  • Smiles: CC1CCC2C3C(C(=CC2(C1)C)C)C4(C=C(C(C5C4(C3=O)C(=O)NC5(CC6=CC=C(C=C6)O)O)C)C)C

  • Isomeric smiles: C[C@H]1CC[C@H]2[C@H]3[C@@H](C(=C[C@@]2(C1)C)C)[C@]4(C=C([C@H]([C@@H]5[C@]4(C3=O)C(=O)N[C@]5(CC6=CC=C(C=C6)O)O)C)C)C

  • Inchi: InChI=1S/C32H41NO4/c1-17-7-12-23-24-25(19(3)14-29(23,5)13-17)30(6)15-18(2)20(4)26-31(37,16-21-8-10-22(34)11-9-21)33-28(36)32(26,30)27(24)35/h8-11,14-15,17,20,23-26,34,37H,7,12-13,16H2,1-6H3,(H,33,36)/t17-,20+,23-,24-,25+,26-,29-,30+,31+,32-/m0/s1

  • Inchikey: AEKBQYOSHUYACR-AHWJCDHHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H41NO4

  • Molecular weight: 503.70

  • Monoisotopic mass: 503.30355879

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