Logo Anses
Logo Interreg

19-o-acetylchaetoglobosin a

  • Formula: C34H38N2O6

  • Molecular weight: 570.70

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

  • Type: Cytochalasan

Download

19-o-acetylchaetoglobosin a

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

Names

  • Mycotoxin name: 19-o-acetylchaetoglobosin a

  • First synonym: 19-o-acetylchaetoglobosin a

  • Synonyms: 19-O-Acetylchaetoglobosin A,CHEBI:68729,Q27137148,(1E,4S,5E,7R,9E,11aR,14S,14aR,15S,15aR,16bR)-14-(1H-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-8,11,12-trioxo-4,7,8,11,12,13,14,14a,15,15a,16a,16b-dodecahydro-3H-cyclotrideca[d]oxireno[f]isoindol-7-yl acetate

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=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)/C=C/C(=O)[C@@H](/C(=C1)/C)OC(=O)C)C(=O)N[C@H]4CC5=CNC6=CC=CC=C65)C)C

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

  • Inchikey: AZLAYOMQTNEYFJ-YZYWEBORSA-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