Logo Anses
Logo Interreg

Cytochalasin k

  • Formula: C32H37NO6

  • Molecular weight: 531.60

  • Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C(=O)C=CC(=O)C(C(=C1)C)OC(=O)C)C(=O)NC4CC5=CC=CC=C5)C)C

  • Type: Cytochalasan

Download

Cytochalasin k

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

Names

  • Mycotoxin name: Cytochalasin k

  • First synonym: Cytochalasin k

  • Synonyms: Cytochalasin K,79648-72-9,3H-Cyclotridec(d)oxireno(f)isoindole-8,11,12(13H)-trione,7-(acetyloxy)-4,7,14,14a,15,15a,16a,16b-octahydro-4,6,15,15a-tetramethyl-14-(phenylmethyl)-, (1E,4S,5E,7R,9E,11aR,14S,14aR,15S,15aR,16aS,16bR)-

Identifiers / External links

Structure

  • Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C(=O)C=CC(=O)C(C(=C1)C)OC(=O)C)C(=O)NC4CC5=CC=CC=C5)C)C

  • Isomeric smiles: C[C@H]/1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2(C(=O)/C=C/C(=O)[C@@H](/C(=C1)/C)OC(=O)C)C(=O)N[C@H]4CC5=CC=CC=C5)C)C

  • Inchi: InChI=1S/C32H37NO6/c1-18-10-9-13-23-29-31(5,39-29)20(3)27-24(17-22-11-7-6-8-12-22)33-30(37)32(23,27)26(36)15-14-25(35)28(19(2)16-18)38-21(4)34/h6-9,11-16,18,20,23-24,27-29H,10,17H2,1-5H3,(H,33,37)/b13-9+,15-14+,19-16-/t18-,20-,23-,24-,27-,28+,29-,31+,32+/m0/s1

  • Inchikey: AZWOSJCABFILKS-XZRSCLCVSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H37NO6

  • Molecular weight: 531.60

  • Monoisotopic mass: 531.2620879

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