2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid (CHEBI:79125)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid

ChEBI ID	CHEBI:79125

Definition	A member of the class of naphthoic acids that is 1-naphthoic acid substituted at positions 2, 5 and 7 by hydroxy, methyl and methoxy groups respectively.

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

Secondary ChEBI IDs	CHEBI:79295

Supplier Information

Download	Molfile XML SDF

more structures >>

Formula

C13H12O4

Net Charge

Average Mass

232.23200

Monoisotopic Mass

232.07356

InChI

InChI=1S/C13H12O4/c1-7-5-8(17-2)6-10-9(7)3-4-11(14)12(10)13(15)16/h3-6,14H,1-2H3,(H,15,16)

InChIKey

LYGUXQMPYLCEGL-UHFFFAOYSA-N

SMILES

COc1cc(C)c2ccc(O)c(C(O)=O)c2c1

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):	bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

ChEBI Ontology
Outgoing	2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid (CHEBI:79125) has role bacterial metabolite (CHEBI:76969) 2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid (CHEBI:79125) is a methoxynaphthalene (CHEBI:48851) 2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid (CHEBI:79125) is a naphthoic acid (CHEBI:25483) 2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid (CHEBI:79125) is a naphthols (CHEBI:25392)

Incoming	2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA (CHEBI:79293) has functional parent 2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid (CHEBI:79125)

IUPAC Name

2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid

Synonym	Source
2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid	ChEBI

Registry Number	Type	Source
4439261	Reaxys Registry Number	Reaxys

Last Modified

21 July 2014