Logo Anses
Logo Interreg

19-o-acetylchaetoglobosin b

  • Formula: C34H38N2O6

  • Molecular weight: 570.70

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

  • Type: Cytochalasan

Download

19-o-acetylchaetoglobosin b

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

Names

  • Mycotoxin name: 19-o-acetylchaetoglobosin b

  • First synonym: 19-o-acetylchaetoglobosin b

  • Synonyms: 19-O-ACETYLCHAETOGLOBOSIN B

Identifiers / External links

Structure

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

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

  • Inchi: InChI=1S/C34H38N2O6/c1-18-9-8-11-25-31(40)21(4)20(3)30-27(16-23-17-35-26-12-7-6-10-24(23)26)36-33(41)34(25,30)29(39)14-13-28(38)32(19(2)15-18)42-22(5)37/h6-8,10-15,17-18,25,27,30-32,35,40H,9,16H2,1-5H3,(H,36,41)/b11-8+,14-13+,19-15-/t18-,25-,27-,30-,31+,32+,34+/m0/s1

  • Inchikey: AAALKTDFGJLPNH-QGEDVQPGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C34H38N2O6

  • Molecular weight: 570.70

  • Monoisotopic mass: 570.27298694

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