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:

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.

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

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