(6-methoxy-2-naphthyl)acetic acid (CHEBI:35628)

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ChEBI Name	(6-methoxy-2-naphthyl)acetic acid

ChEBI ID	CHEBI:35628

Definition	A monocarboxylic acid consisting of 2-naphthylacetic acid having a methoxy substituent at the 6-position. The active metabolite of the prodrug nabumetone.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C13H12O3

Net Charge

Average Mass

216.23260

Monoisotopic Mass

216.07864

InChI

InChI=1S/C13H12O3/c1-16-12-5-4-10-6-9(7-13(14)15)2-3-11(10)8-12/h2-6,8H,7H2,1H3,(H,14,15)

InChIKey

PHJFLPMVEFKEPL-UHFFFAOYSA-N

SMILES

COc1ccc2cc(CC(O)=O)ccc2c1

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	drug metabolite xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound. EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor A compound or agent that combines with cyclooxygenases (EC 1.14.99.1) and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of icosanoids, prostaglandins, and thromboxanes.

ChEBI Ontology
Outgoing	(6-methoxy-2-naphthyl)acetic acid (CHEBI:35628) has functional parent 2-naphthylacetic acid (CHEBI:37837) (6-methoxy-2-naphthyl)acetic acid (CHEBI:35628) has role drug metabolite (CHEBI:49103) (6-methoxy-2-naphthyl)acetic acid (CHEBI:35628) has role EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor (CHEBI:35544) (6-methoxy-2-naphthyl)acetic acid (CHEBI:35628) has role xenobiotic metabolite (CHEBI:76206) (6-methoxy-2-naphthyl)acetic acid (CHEBI:35628) is a methoxynaphthalene (CHEBI:48851) (6-methoxy-2-naphthyl)acetic acid (CHEBI:35628) is a monocarboxylic acid (CHEBI:25384)

IUPAC Name

(6-methoxynaphthalen-2-yl)acetic acid

Synonyms	Sources
6-Methoxy-2-naphthylacetic acid	ChemIDplus
6-methoxynaphth-2-ylacetic acid	ChEBI
6-MNAA	ChEBI

Last Modified

13 November 2013