Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA018584
PROPERTIES
NPAID | NPA018584 |
---|---|
CLUSTER ID | 119 |
NODE ID | 113 |
NAME | Splenocin B |
FORMULA | C28H32N2O9 |
MOLECULAR WEIGHT (Da) | 540.5690 |
ACCURATE MASS (Da) | 540.2108 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. CNQ431 |
InChIKey | POEKVQXERPXKAO-NIBHENIISA-N |
InChI | InChI=1S/C28H32N2O9/c1-15(2)26(34)39-24-17(4)38-28(36)22(30-25(33)19-11-8-12-21(23(19)32)29-14-31)16(3)37-27(35)20(24)13-18-9-6-5-7-10-18/h5-12,14-17,20,22,24,32H,13H2,1-4H3,(H,29,31)(H,30,33)/t16-,17+,20-,22+,24+/m1/s1 |
SMILES | C[C@H]1[C@@H]([C@H](C(=O)O[C@@H]([C@@H](C(=O)O1)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)CC3=CC=CC=C3)OC(=O)C(C)C |
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. | ||
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DOI | 10.1021/jm801110j | PMID | 19323483 |