Logo Anses
Logo Interreg

Cytochalasin U

  • Formula: C30H39NO5

  • Molecular weight: 493.60

  • Smiles: CC1CC=CC2C=C(C(C3C2(C(C=CC(C1)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)CO

  • Type: Cytochalasan

Download

Cytochalasin U

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

Names

  • Mycotoxin name: Cytochalasin U

  • First synonym: None

  • Synonyms: Cytochalasin U,CHEMBL5198126,CHEBI:221210,[(1S,2R,3E,5R,7S,9E,11S,14S,15R,16S)-16-benzyl-5-hydroxy-13-(hydroxymethyl)-5,7,14-trimethyl-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-trien-2-yl] acetate

Identifiers / External links

Structure

  • Smiles: CC1CC=CC2C=C(C(C3C2(C(C=CC(C1)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)CO

  • Isomeric smiles: C[C@H]1C/C=C/[C@H]2C=C([C@H]([C@@H]3[C@@]2([C@@H](/C=C/[C@](C1)(C)O)OC(=O)C)C(=O)N[C@H]3CC4=CC=CC=C4)C)CO

  • Inchi: InChI=1S/C30H39NO5/c1-19-9-8-12-24-16-23(18-32)20(2)27-25(15-22-10-6-5-7-11-22)31-28(34)30(24,27)26(36-21(3)33)13-14-29(4,35)17-19/h5-8,10-14,16,19-20,24-27,32,35H,9,15,17-18H2,1-4H3,(H,31,34)/b12-8+,14-13+/t19-,20+,24-,25-,26+,27-,29-,30+/m0/s1

  • Inchikey: OCZJGPJVAQGKFA-IJOFPKGLSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H39NO5

  • Molecular weight: 493.60

  • Monoisotopic mass: 493.28282334

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