Sirodesmin A

Formula: C20H26N2O8S2
Molecular weight: 486.60
Smiles: CC1C(C(=O)C2(O1)CC3C(C2OC(=O)C)(CC45N3C(=O)C(N(C4=O)C)(SS5)CO)O)(C)C
Type: Epipolythiopiperazine-3,6-dione

Download

Sirodesmin A

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Sirodesmin A
First synonym: None
Synonyms: Sirodesmin A,52988-50-8,MLS002702135,NSC294408,SMR001565700,[3-hydroxy-10-(hydroxymethyl)-4',4',5',14-tetramethyl-3',9,13-trioxospiro[11,12-dithia-8,14-diazatetracyclo[8.2.2.01,8.03,7]tetradecane-5,2'-oxolane]-4-yl] acetate,cid_325517,CHEMBL1713955,SCHEMBL14986944,BDBM80816,TAN 1496B,DTXSID60967448,KTAIGLOGMSQPCG-UHFFFAOYSA-N,NSC-294408,8a-Hydroxy-3-(hydroxymethyl)-2,4',4',5'-tetramethyl-1,3',4-trioxooctahydro-8H-spiro[3,9a-epidithiocyclopenta[4,5]pyrrolo[1,2-a]pyrazine-7,2'-oxolan]-8-yl acetate,Spiro[furan-2(3H),9a](iminomethano)[9aH] cyclopenta[4,5]pyrrolo[2,1-c][1,2,4]dithiazine]- 3,4',10'(3'H)-trione, 8'-(acetyloxy)-4,5,5'a,6',8'a,9'-hexahydro-8'a-hydroxy- 3'-(hydroxymethyl)-4,4,5,11'-tetramethyl-

Smiles: CC1C(C(=O)C2(O1)CC3C(C2OC(=O)C)(CC45N3C(=O)C(N(C4=O)C)(SS5)CO)O)(C)C
Isomeric smiles: CC1C(C(=O)C2(O1)CC3C(C2OC(=O)C)(CC45N3C(=O)C(N(C4=O)C)(SS5)CO)O)(C)C
Inchi: InChI=1S/C20H26N2O8S2/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(8-23,32-31-19)15(27)22(11)19/h9,11,13,23,28H,6-8H2,1-5H3
Inchikey: KTAIGLOGMSQPCG-UHFFFAOYSA-N

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