Zygosporamide
AlkaPlorer ID: AK074733
Synonym: None
IUPAC Name: (3S,6S,9R,12S,15S)-3,12-dibenzyl-6,9,15-tris(2-methylpropyl)-1-oxa-4,7,10,13-tetrazacyclopentadecane-2,5,8,11,14-pentone
Structure
SMILES: CC(C)C[C@@H]1N=C(O)[C@@H](CC(C)C)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](CC(C)C)OC(=O)[C@H](CC2=CC=CC=C2)N=C1O
InChI: InChI=1S/C36H50N4O6/c1-22(2)17-27-32(41)37-28(18-23(3)4)33(42)40-30(21-26-15-11-8-12-16-26)36(45)46-31(19-24(5)6)35(44)39-29(34(43)38-27)20-25-13-9-7-10-14-25/h7-16,22-24,27-31H,17-21H2,1-6H3,(H,37,41)(H,38,43)(H,39,44)(H,40,42)/t27-,28+,29+,30+,31+/m1/s1
InChIKey: CKEAPQMIPHEQRF-LVIOGHJBSA-N
Reference
Zygosporamide, a cytotoxic cyclic depsipeptide from the marine-derived fungus Zygosporium masonii
PubChem CID: 16095079
LOTUS: LTS0170523
SuperNatural Ⅲ: SN0047943-01
{NPAtlas: NPA017391
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zygosporium masonii | Zygosporium | Zygosporiaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 634.8180000000001
TPSA？: 156.66
MolLogP？: 6.835900000000008
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 2500.0 | nM | 10.1016/j.bmcl.2008.06.066 |
| Homo sapiens | HCT-116 | IC50 | 22000.0 | nM | 10.1016/j.bmcl.2008.06.066 |
| Homo sapiens | MDA-MB-231 | IC50 | 5700.0 | nM | 10.1016/j.bmcl.2008.06.066 |
| Homo sapiens | SF-268 | IC50 | 4600.0 | nM | 10.1016/j.bmcl.2008.06.066 |
| Homo sapiens | SF-295 | IC50 | 4200.0 | nM | 10.1016/j.bmcl.2008.06.066 |