Logo Anses
Logo Interreg

Sporidesmin G

  • Formula: C18H20ClN3O6S4

  • Molecular weight: 538.10

  • Smiles: CC12C(=O)N3C4C(C(C3(C(=O)N1C)SSSS2)O)(C5=CC(=C(C(=C5N4C)OC)OC)Cl)O

  • Type: Epipolythiopiperazine-3,6-dione

Download

Sporidesmin G

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

Names

  • Mycotoxin name: Sporidesmin G

  • First synonym: None

  • Synonyms: sporidesmin G,(1R,2R,3S,11R,14R)-6-chloro-2,3-dihydroxy-7,8-dimethoxy-10,14,20-trimethyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.01,12.03,11.04,9]icosa-4,6,8-triene-13,19-dione,32608-68-7,(1R,2R,3S,11R,14R)-6-chloro-2,3-dihydroxy-7,8-dimethoxy-10,14,20-trimethyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo(12.4.2.01,12.03,11.04,9)icosa-4,6,8-triene-13,19-dione,CHEBI:219305,5,13a-(Iminomethano)-13aH-(1,2,3,4,6)tetrathiazocino(6',5':1,5)pyrrolo(2,3-b)indole-6,14(5H)-dione,11-chloro-7a,8,12b,13-tetrahydro-12b,13-dihydroxy-9,10-dimethoxy-5,8,15-trimethyl-, (5R,7aR,12bS,13R,13aR)-

Identifiers / External links

Structure

  • Smiles: CC12C(=O)N3C4C(C(C3(C(=O)N1C)SSSS2)O)(C5=CC(=C(C(=C5N4C)OC)OC)Cl)O

  • Isomeric smiles: C[C@@]12C(=O)N3[C@@H]4[C@]([C@H]([C@]3(C(=O)N1C)SSSS2)O)(C5=CC(=C(C(=C5N4C)OC)OC)Cl)O

  • Inchi: InChI=1S/C18H20ClN3O6S4/c1-16-14(24)22-13-17(26,12(23)18(22,15(25)21(16)3)30-32-31-29-16)7-6-8(19)10(27-4)11(28-5)9(7)20(13)2/h6,12-13,23,26H,1-5H3/t12-,13-,16-,17-,18-/m1/s1

  • Inchikey: JKFOABBFIQXSLQ-ICTVWZTPSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H20ClN3O6S4

  • Molecular weight: 538.10

  • Monoisotopic mass: 536.9923478

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