Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA010485
PROPERTIES
NPAID | NPA010485 |
---|---|
CLUSTER ID | 121 |
NODE ID | 115 |
NAME | Splenocin H |
FORMULA | C31H38N2O9 |
MOLECULAR WEIGHT (Da) | 582.6500 |
ACCURATE MASS (Da) | 582.2577 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. |
InChIKey | BFQCYIGAEVFXRO-RTNNLQPISA-N |
InChI | InChI=1S/C31H38N2O9/c1-5-6-11-18(2)16-23-27(42-29(37)21-12-8-7-9-13-21)20(4)41-31(39)25(19(3)40-30(23)38)33-28(36)22-14-10-15-24(26(22)35)32-17-34/h7-10,12-15,17-20,23,25,27,35H,5-6,11,16H2,1-4H3,(H,32,34)(H,33,36)/t18?,19-,20+,23-,25+,27+/m1/s1 |
SMILES | CCCCC(C)C[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 |