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Compounds

COMPOUND NPA010485

STRUCTURE
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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.
DOI 10.1021/jm801110j PMID 19323483
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Actinobacteria LPSN 201174
Class Actinobacteria LPSN -
Order Streptomycetales LPSN 85011
Family Streptomycetaceae LPSN 2062
Genus Streptomyces LPSN 1883
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