Molecule

Sirodesmin K

AlkaPlorer ID: AK045254

Synonym: None

IUPAC Name: [(1R,3S,4S,5S,5'R,7R,10R)-3-hydroxy-10-(hydroxymethyl)-4',4',5',16-tetramethyl-3',9,15-trioxospiro[11,12,13,14-tetrathia-8,16-diazatetracyclo[8.4.2.01,8.03,7]hexadecane-5,2'-oxolane]-4-yl] acetate

Structure

SMILES: CC(=O)O[C@H]1[C@]2(O)C[C@]34SSSS[C@](CO)(C(=O)N3[C@@H]2C[C@]12O[C@H](C)C(C)(C)C2=O)N(C)C4=O

InChI: InChI=1S/C20H26N2O8S4/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(8-23,15(27)22(11)19)32-34-33-31-19/h9,11,13,23,28H,6-8H2,1-5H3/t9-,11-,13+,17+,18-,19-,20-/m1/s1

InChIKey: HRTWROLCNILHTD-OQIMMBKLSA-N

Reference

Minor phytotoxins from the blackleg fungus Phoma lingam

PubChem CID: 14540502

LOTUS: LTS0171827

SuperNatural Ⅲ: SN0133683-04

NPASS: NPC187954

{

NPAtlas: NPA002568

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Phoma	Didymellaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 550.7020000000003

TPSA？: 133.68

MolLogP？: 0.9549

Number of H-Donors: 2

Number of H-Acceptors: 12

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Brassica juncea	Brassica juncea	Activity	None	None	10.1016/j.bmc.2008.07.060
Brassica napus	Brassica napus	Activity	None	None	10.1016/j.bmc.2008.07.060