Sirodesmin H
AlkaPlorer ID: AK046757
Synonym: None
IUPAC Name: [(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
Structure
SMILES: CC(=O)O[C@H]1[C@]2(O)C[C@]34S[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/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
Reference
PubChem CID: 442874
CAS: 64542-78-5
LOTUS: LTS0065191
SuperNatural Ⅲ: SN0154876-01
NPASS: NPC277268
{NPAtlas: NPA019656
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Phoma | Didymellaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 454.50100000000026
TPSA？: 133.68
MolLogP？: -0.9896999999999984
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 5
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 |