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Compounds

COMPOUND NPA005407

STRUCTURE

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PROPERTIES

NPAID	NPA005407
CLUSTER ID	1363
NODE ID	1146
NAME	Fijiolide A
FORMULA	C34H38Cl2N2O10
MOLECULAR WEIGHT (Da)	705.5880
ACCURATE MASS (Da)	704.1904
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Nocardiopsis
ORIGIN SPECIES	sp. CNS-653
InChIKey	UOSXSYLUJCWXEX-POTPYSIGSA-N
InChI	InChI=1S/C34H38Cl2N2O10/c1-15(39)37-21-13-24(42)45-14-23(41)17-8-9-18-25(26(17)36)19-7-6-10-34(19,31(18)46-29-20(35)11-16(21)12-22(29)40)48-32-28(44)27(43)30(38(4)5)33(2,3)47-32/h6-12,21,23,27-28,30-32,40-41,43-44H,13-14H2,1-5H3,(H,37,39)/t21-,23-,27-,28+,30-,31+,32-,34+/m0/s1
SMILES	CC(=O)N[C@H]1CC(=O)OC[C@@H](C2=C(C3=C(C=C2)[C@H]([C@@]4(C3=CC=C4)O[C@H]5[C@@H]([C@@H]([C@@H](C(O5)(C)C)N(C)C)O)O)OC6=C(C=C1C=C6Cl)O)Cl)O

ORIGINAL ISOLATION REFERENCE

CITATION	Nam, Sang-Jip; Gaudencio, Susana P.; Kauffman, Christopher A.; Jensen, Paul R.; Kondratyuk, Tamara P.; Marler, Laura E.; Pezzuto, John M.; Fenical, William Fijiolides A and B, inhibitors of TNF-α-induced NFκB activation, from a marine-derived sediment bacterium of the genus Nocardiopsis Journal of Natural Products 2010 73 (6) 1080-1086.
DOI	10.1021/np100087c	PMID	20481500

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Streptosporangiales	LPSN	85012
Family	Nocardiopsaceae	LPSN	83676
Genus	Nocardiopsis	LPSN	2013

SYNTHESES

CITATION 1	Heinz C; Cramer N Total Synthesis of Fijiolide A. CHIMIA 2016 70 (4) 258-262. DOI: 10.2533/chimia.2016.258 PMID: 27131110

CLASSYFIRE

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MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

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SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

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