Logo Anses
Logo Interreg

Dehydroxybisdethiobis(methylthio) gliotoxin

  • Formula: C15H20N2O3S2

  • Molecular weight: 340.50

  • Smiles: CC1(C(=O)N2C3C(C=CC=C3CC2(C(=O)N1C)SC)O)SC

  • Type: Epipolythiopiperazine-3,6-dione

Download

Dehydroxybisdethiobis(methylthio) gliotoxin

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

Names

  • Mycotoxin name: Dehydroxybisdethiobis(methylthio) gliotoxin

  • First synonym: None

  • Synonyms: Dehydroxybisdethiobis(methylthio) gliotoxin,Dehydroxybisdethiobis(methylthio)gliotoxin,CHEBI:223931,(3R,5aS,6S,10aR)-6-hydroxy-2,3-dimethyl-3,10a-bis(methylsulanyl)-6,10-dihydro-5aH-pyrazino[1,2-a]indole-1,4-dione,(3R,5aS,6S,10aR)-6-hydroxy-2,3-dimethyl-3,10a-bis(methylsulfanyl)-6,10-dihydro-5aH-pyrazino[1,2-a]indole-1,4-dione

Identifiers / External links

Structure

  • Smiles: CC1(C(=O)N2C3C(C=CC=C3CC2(C(=O)N1C)SC)O)SC

  • Isomeric smiles: C[C@]1(C(=O)N2[C@@H]3[C@H](C=CC=C3C[C@]2(C(=O)N1C)SC)O)SC

  • Inchi: InChI=1S/C15H20N2O3S2/c1-14(21-3)12(19)17-11-9(6-5-7-10(11)18)8-15(17,22-4)13(20)16(14)2/h5-7,10-11,18H,8H2,1-4H3/t10-,11-,14+,15+/m0/s1

  • Inchikey: LMIKSOSZXIDKTM-UOVKNHIHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H20N2O3S2

  • Molecular weight: 340.50

  • Monoisotopic mass: 340.09153485

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

  • Fungi id Species