Logo Anses
Logo Interreg

Chaetoglobosin j

  • Formula: C32H36N2O4

  • Molecular weight: 512.60

  • Smiles: CC1CC=CC2C=C(C(C3C2(C(=O)C=CC(=O)C(C(=C1)C)O)C(=O)NC3CC4=CNC5=CC=CC=C54)C)C

  • Type: Cytochalasan

Download

Chaetoglobosin j

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

Names

  • Mycotoxin name: Chaetoglobosin j

  • First synonym: Chaetoglobosin j

  • Synonyms: Chaetoglobosin J,CHEBI:68735,Cheatoglobosin J,SCHEMBL33739,CHEMBL488099,XSYISNGSIFFBMR-YGCMOINNSA-,65745-47-3,Q27137154,(3S,3aR,4S,6aS,7E,10S,11E,13R,15E,17aS)-13-hydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-2,3,3a,4,6a,9,10,13-octahydro-1H-cyclotrideca[d]isoindole-1,14,17-trione

Identifiers / External links

Structure

  • Smiles: CC1CC=CC2C=C(C(C3C2(C(=O)C=CC(=O)C(C(=C1)C)O)C(=O)NC3CC4=CNC5=CC=CC=C54)C)C

  • Isomeric smiles: C[C@H]\1C/C=C/[C@H]2C=C([C@H]([C@@H]3[C@@]2(C(=O)/C=C/C(=O)[C@@H](/C(=C1)/C)O)C(=O)N[C@H]3CC4=CNC5=CC=CC=C54)C)C

  • Inchi: InChI=1S/C32H36N2O4/c1-18-8-7-9-23-15-19(2)21(4)29-26(16-22-17-33-25-11-6-5-10-24(22)25)34-31(38)32(23,29)28(36)13-12-27(35)30(37)20(3)14-18/h5-7,9-15,17-18,21,23,26,29-30,33,37H,8,16H2,1-4H3,(H,34,38)/b9-7+,13-12+,20-14+/t18-,21+,23-,26-,29-,30+,32+/m0/s1

  • Inchikey: XSYISNGSIFFBMR-YGCMOINNSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H36N2O4

  • Molecular weight: 512.60

  • Monoisotopic mass: 512.26750763

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