Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA017905
PROPERTIES
NPAID | NPA017905 |
---|---|
CLUSTER ID | 121 |
NODE ID | 115 |
NAME | Splenocin D |
FORMULA | C26H28N2O9 |
MOLECULAR WEIGHT (Da) | 512.5150 |
ACCURATE MASS (Da) | 512.1795 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. |
InChIKey | ABGLHEFIWWSNJQ-IRSNHEQCSA-N |
InChI | InChI=1S/C26H28N2O9/c1-4-17-22(37-24(32)16-9-6-5-7-10-16)15(3)36-26(34)20(14(2)35-25(17)33)28-23(31)18-11-8-12-19(21(18)30)27-13-29/h5-15,17,20,22,30H,4H2,1-3H3,(H,27,29)(H,28,31)/t14-,15+,17-,20+,22+/m1/s1 |
SMILES | CC[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. | ||
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DOI | 10.1021/jm801110j | PMID | 19323483 |