Logo Anses
Logo Interreg

Chaetoglobosin f

  • Formula: C32H38N2O5

  • Molecular weight: 530.70

  • Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C(=O)CCC(C(=O)C(=C1)C)O)C(=O)NC4CC5=CNC6=CC=CC=C65)C)C

  • Type: Cytochalasan

Download

Chaetoglobosin f

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

Names

  • Mycotoxin name: Chaetoglobosin f

  • First synonym: Chaetoglobosin f

  • Synonyms: Chaetoglobosin F,CHEBI:68732,Cheatoglobosin F,SCHEMBL33827,CHEMBL443188,Q27137151,(1E,4S,5E,8S,11aR,14S,14aR,15S,15aR,16aS,16bR)-8-hydroxy-14-(1H-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-9,10,14,14a,15,15a,16a,16b-octahydro-3H-cyclotrideca[d]oxireno[f]isoindole-7,11,12(4H,8H,13H)-trione

Identifiers / External links

Structure

  • Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C(=O)CCC(C(=O)C(=C1)C)O)C(=O)NC4CC5=CNC6=CC=CC=C65)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)CC[C@@H](C(=O)/C(=C1)/C)O)C(=O)N[C@H]4CC5=CNC6=CC=CC=C65)C)C

  • Inchi: InChI=1S/C32H38N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-11,14,16-17,19,22,24-25,27,29,33,35H,8,12-13,15H2,1-4H3,(H,34,38)/b10-7+,18-14+/t17-,19-,22-,24-,25-,27-,29-,31+,32+/m0/s1

  • Inchikey: KTFGDHPTDQFFRL-USMZZGTESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H38N2O5

  • Molecular weight: 530.70

  • Monoisotopic mass: 530.27807232

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