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Compounds

COMPOUND NPA004474

STRUCTURE

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PROPERTIES

NPAID	NPA004474
CLUSTER ID	2319
NODE ID	1833
NAME	Hydroisoflavone C
FORMULA	C15H16O6
MOLECULAR WEIGHT (Da)	292.2870
ACCURATE MASS (Da)	292.0947
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	mirabilis
InChIKey	PQNNMOPFCAZSEC-UHFFFAOYSA-N
InChI	InChI=1S/C15H16O6/c16-8-1-3-15(20,4-2-8)10-7-21-12-6-9(17)5-11(18)13(12)14(10)19/h5-8,16-18,20H,1-4H2
SMILES	C1CC(CCC1O)(C2=COC3=CC(=CC(=C3C2=O)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Ndejouong, B Le S Tchize; Sattler, I; Dahse, H-M; Kothe, E; Hertweck, C Isoflavones with unusually modified B-rings and their evaluation as antiproliferative agents Bioorganic and Medicinal Chemistry Letters 2009 19 (22) 6473-6476.
DOI	10.1016/j.bmcl.2009.08.084	PMID	19818612

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

CLASSYFIRE

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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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