1-[(3-methylbutanoyl)phloroglucinyl]-beta-D-glucopyranoside (CHEBI:66073)

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CHEBI:66073 - 1-[(3-methylbutanoyl)phloroglucinyl]-β-D-glucopyranoside

ChEBI ID	CHEBI:66073
ChEBI Name	1-[(3-methylbutanoyl)phloroglucinyl]-β-D-glucopyranoside
Stars
ASCII Name	1-[(3-methylbutanoyl)phloroglucinyl]-beta-D-glucopyranoside
Definition	A β-D-glucoside compound having a (3-methylbutanoyl)phloroglucinyl moiety at the anomeric position. Isolated from the whole plant of Indigofera heterantha, it exhibits lipoxygenase inhibitory activity.
Last Modified	7 November 2013
Downloads	Molfile

Formula	C17H24O9
Net Charge	0
Average Mass	372.370
Monoisotopic Mass	372.14203
SMILES	CC(C)CC(=O)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C17H24O9/c1-7(2)3-9(20)13-10(21)4-8(19)5-11(13)25-17-16(24)15(23)14(22)12(6-18)26-17/h4-5,7,12,14-19,21-24H,3,6H2,1-2H3/t12-,14-,15+,16-,17-/m1/s1
InChIKey	SYVLRDXITUYNAK-USACIQFYSA-N

Species of Metabolite	Component	Source	Comments
Indigofera heterantha (ncbitaxon:198880)	whole plant (BTO:0001461)	PubMed (15744094)

Roles Classification

Biological Roles:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

lipoxygenase inhibitor A compound or agent that combines with lipoxygenase and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of the icosanoid products hydroxyicosatetraenoic acid and various leukotrienes.

ChEBI Ontology

Outgoing Relation(s)
	1-[(3-methylbutanoyl)phloroglucinyl]-β-D-glucopyranoside (CHEBI:66073) has functional parent phloroglucinol (CHEBI:16204)
	1-[(3-methylbutanoyl)phloroglucinyl]-β-D-glucopyranoside (CHEBI:66073) has role lipoxygenase inhibitor (CHEBI:35856)
	1-[(3-methylbutanoyl)phloroglucinyl]-β-D-glucopyranoside (CHEBI:66073) has role metabolite (CHEBI:25212)
	1-[(3-methylbutanoyl)phloroglucinyl]-β-D-glucopyranoside (CHEBI:66073) is a aromatic ketone (CHEBI:76224)
	1-[(3-methylbutanoyl)phloroglucinyl]-β-D-glucopyranoside (CHEBI:66073) is a polyphenol (CHEBI:26195)
	1-[(3-methylbutanoyl)phloroglucinyl]-β-D-glucopyranoside (CHEBI:66073) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
3,5-dihydroxy-2-(3-methylbutanoyl)phenyl β-D-glucopyranoside

Synonym	Source
2-β-D-glucopyranosyloxy-4,6-dihydroxyisovalerophenone	ChEBI

Manual Xrefs	Databases
9660393	ChemSpider

Registry Numbers	Sources
Reaxys:10035977	Reaxys

Citations