Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001068
PROPERTIES
| NPAID | NPA001068 |
|---|---|
| CLUSTER ID | 119 |
| NODE ID | 113 |
| NAME | Splenocin F |
| FORMULA | C29H34N2O9 |
| MOLECULAR WEIGHT (Da) | 554.5960 |
| ACCURATE MASS (Da) | 554.2264 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. CNQ431 |
| InChIKey | FTJJUOYUUFABMY-WCWKAPRESA-N |
| InChI | InChI=1S/C29H34N2O9/c1-4-5-7-13-21-25(40-27(35)19-11-8-6-9-12-19)18(3)39-29(37)23(17(2)38-28(21)36)31-26(34)20-14-10-15-22(24(20)33)30-16-32/h6,8-12,14-18,21,23,25,33H,4-5,7,13H2,1-3H3,(H,30,32)(H,31,34)/t17-,18+,21-,23+,25+/m1/s1 |
| SMILES | CCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)C3=CC=CC=C3 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Strangman, Wendy K; Kwon, Hak Cheol; Broide, David; Jensen, Paul R; Fenical, William Potent inhibitors of pro-inflammatory cytokine production produced by a marine-derived bacterium Journal of Medicinal Chemistry 2009 52 (8) 2317-2327. | ||
|---|---|---|---|
| DOI | 10.1021/jm801110j | PMID | 19323483 |
