Logo Anses
Logo Interreg

6-methoxyspirotryprostatin b

  • Formula: C22H23N3O4

  • Molecular weight: 393.40

  • Smiles: CC(=CC1C2(C=C3N1C(=O)C4CCCN4C3=O)C5=C(C=C(C=C5)OC)NC2=O)C

Download

6-methoxyspirotryprostatin b

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

Names

  • Mycotoxin name: 6-methoxyspirotryprostatin b

  • First synonym: 6-methoxyspirotryprostatin b

  • Synonyms: 6-methoxyspirotryprostatin B,CHEBI:66707,(2S,3S,5aS)-5a,6,7,8-Tetrahydro-6'-methoxy-3-(2-methyl-1-propen-1-yl)spiro[5H,10H-dipyrrolo[1,2-a:1',2'-d]pyrazine-2(3H),3'-[3H]indole]-2',5,10(1'H)-trione,(2S,3S,5aS)-6'-methoxy-3-(2-methylprop-1-en-1-yl)-5a,6,7,8-tetrahydro-5H,10H-spiro[dipyrrolo[1,2-a:1',2'-d]pyrazine-2,3'-indole]-2',5,10(1'H)-trione,CHEMBL488302,Q27135329

Identifiers / External links

Structure

  • Smiles: CC(=CC1C2(C=C3N1C(=O)C4CCCN4C3=O)C5=C(C=C(C=C5)OC)NC2=O)C

  • Isomeric smiles: CC(=C[C@H]1[C@]2(C=C3N1C(=O)[C@@H]4CCCN4C3=O)C5=C(C=C(C=C5)OC)NC2=O)C

  • Inchi: InChI=1S/C22H23N3O4/c1-12(2)9-18-22(14-7-6-13(29-3)10-15(14)23-21(22)28)11-17-19(26)24-8-4-5-16(24)20(27)25(17)18/h6-7,9-11,16,18H,4-5,8H2,1-3H3,(H,23,28)/t16-,18-,22-/m0/s1

  • Inchikey: UHQKDPCPFNXIDU-ZJBJCVSYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H23N3O4

  • Molecular weight: 393.40

  • Monoisotopic mass: 393.16885622

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