Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA001239
PROPERTIES
NPAID | NPA001239 |
---|---|
CLUSTER ID | 121 |
NODE ID | 115 |
NAME | Splenocin C |
FORMULA | C29H34N2O9 |
MOLECULAR WEIGHT (Da) | 554.5960 |
ACCURATE MASS (Da) | 554.2264 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. |
InChIKey | XSELIRFLKHOAHM-FJMXMQQUSA-N |
InChI | InChI=1S/C29H34N2O9/c1-5-16(2)27(35)40-25-18(4)39-29(37)23(31-26(34)20-12-9-13-22(24(20)33)30-15-32)17(3)38-28(36)21(25)14-19-10-7-6-8-11-19/h6-13,15-18,21,23,25,33H,5,14H2,1-4H3,(H,30,32)(H,31,34)/t16?,17-,18+,21-,23+,25+/m1/s1 |
SMILES | CCC(C)C(=O)O[C@H]1[C@@H](OC(=O)[C@H]([C@H](OC(=O)[C@@H]1CC2=CC=CC=C2)C)NC(=O)C3=C(C(=CC=C3)NC=O)O)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 |