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Compounds

COMPOUND NPA026707

STRUCTURE

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PROPERTIES

NPAID	NPA026707
CLUSTER ID	8068
NODE ID	5475
NAME	Dragocin B
FORMULA	C17H22ClNO7
MOLECULAR WEIGHT (Da)	387.8160
ACCURATE MASS (Da)	387.1085
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Unknown
ORIGIN SPECIES	sp.
InChIKey	SIXWLVWKNCZWEF-UYCJJKJYSA-N
InChI	InChI=1S/C17H22ClNO7/c1-23-9-4-2-8(3-5-9)13-11-14(10(20)6-19-11)25-16-12(21)15(22)17(18,26-16)7-24-13/h2-5,10-16,19-22H,6-7H2,1H3/t10-,11+,12+,13+,14+,15-,16+,17+/m0/s1
SMILES	COC1=CC=C([C@H]2OC[C@@]3(Cl)O[C@@H](O[C@@H]4[C@@H](O)CN[C@@H]42)[C@H](O)[C@@H]3O)C=C1

ORIGINAL ISOLATION REFERENCE

CITATION	Choi, Hyukjae; Engene, Niclas; Byrum, Tara; Hwang, Sunghoon; Oh, Dong-Chan; Gerwick, William H. Dragocins A-D, Structurally Intriguing Cytotoxic Metabolites from a Panamanian Marine Cyanobacterium Organic Letters 2019 21 (1) 266-270.
DOI	10.1021/acs.orglett.8b03712	PMID	30566359

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117

CLASSYFIRE

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DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
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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