Logo Anses
Logo Interreg

Sirodesmin h

  • Formula: C20H26N2O8S

  • Molecular weight: 454.50

  • Smiles: CC1C(C(=O)C2(O1)CC3C(C2OC(=O)C)(CC45N3C(=O)C(S4)(N(C5=O)C)CO)O)(C)C

Download

Sirodesmin h

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

Names

  • Mycotoxin name: Sirodesmin h

  • First synonym: Sirodesmin h

  • Synonyms: Sirodesmin H,Sirodesmin A, 14-dethio-, (5'R,7S)-,(5'R,7S)-14-Dethiosirodesmin A,64542-78-5,CHEBI:9165,CHEMBL511647,[(1R,3S,4S,5S,5'R,7R,10R)-3-hydroxy-10-(hydroxymethyl)-4',4',5',11-tetramethyl-3',9,12-trioxospiro[13-thia-8,11-diazatetracyclo[8.2.1.01,8.03,7]tridecane-5,2'-oxolane]-4-yl] acetate,AC1L9DK2,DTXSID60214808,Q27108294,(5'R,7S)-4',5',5abeta,6,7,8,8a,9-Octahydro-2,4',4',5'-tetramethyl-8beta-acetoxy-8abeta-hydroxy-3-(hydroxymethyl)-1H-3alpha,9aalpha-epithiospiro[2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazine-7,2'(3'H)-furan]-1,3',4(3H)-trione

Identifiers / External links

Structure

  • Smiles: CC1C(C(=O)C2(O1)CC3C(C2OC(=O)C)(CC45N3C(=O)C(S4)(N(C5=O)C)CO)O)(C)C

  • Isomeric smiles: C[C@@H]1C(C(=O)[C@]2(O1)C[C@@H]3[C@]([C@@H]2OC(=O)C)(C[C@@]45N3C(=O)[C@@](S4)(N(C5=O)C)CO)O)(C)C

  • Inchi: InChI=1S/C20H26N2O8S/c1-9-16(3,4)12(25)18(30-9)6-11-17(28,13(18)29-10(2)24)7-19-14(26)21(5)20(8-23,31-19)15(27)22(11)19/h9,11,13,23,28H,6-8H2,1-5H3/t9-,11-,13+,17+,18-,19-,20-/m1/s1

  • Inchikey: ITMLCHOGYDYPNT-OQIMMBKLSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H26N2O8S

  • Molecular weight: 454.50

  • Monoisotopic mass: 454.14098697

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