Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013530
PROPERTIES
| NPAID | NPA013530 |
|---|---|
| CLUSTER ID | 119 |
| NODE ID | 113 |
| NAME | Splenocin E |
| FORMULA | C28H32N2O9 |
| MOLECULAR WEIGHT (Da) | 540.5690 |
| ACCURATE MASS (Da) | 540.2108 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. strain CNQ431 |
| InChIKey | GDMFHVAWBYMLCR-NIBHENIISA-N |
| InChI | InChI=1S/C28H32N2O9/c1-4-5-12-20-24(39-26(34)18-10-7-6-8-11-18)17(3)38-28(36)22(16(2)37-27(20)35)30-25(33)19-13-9-14-21(23(19)32)29-15-31/h6-11,13-17,20,22,24,32H,4-5,12H2,1-3H3,(H,29,31)(H,30,33)/t16-,17+,20-,22+,24+/m1/s1 |
| SMILES | CCCC[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 |
