Methyl-vanillate

General

Type : Hydroxycinnamic-ester, Benzoate

Chemical_Nomenclature : methyl 4-hydroxy-3-methoxybenzoate

Canonical SMILES : COC1=C(C=CC(=C1)C(=O)OC)O

InChI : InChI=1S\/C9H10O4\/c1-12-8-5-6(9(11)13-2)3-4-7(8)10\/h3-5,10H,1-2H3

InChIKey : BVWTXUYLKBHMOX-UHFFFAOYSA-N

Other name(s) : Methyl vanillate  ||  Methyl 4-hydroxy-3-methoxybenzoate  ||  Methyl 3-methoxy-4-hydroxybenzoate  ||  Vanillic acid, methyl ester  ||  4-Hydroxy-3-methoxybenzoic acid methyl ester


MW : 182.17

Formula : C9H10O4

CAS_number : 3943-74-6

PubChem : 19844

UniChem : BVWTXUYLKBHMOX-UHFFFAOYSA-N

Target

Structures : 1WB6

Families : A85-Feruloyl-Esterase

References (1)

Title : Molecular determinants of substrate specificity in the feruloyl esterase module of xylanase 10B from Clostridium thermocellum - Tarbouriech_2005_Acta.Crystallogr.D.Biol.Crystallogr_61_194
Author(s) : Tarbouriech N , Prates JA , Fontes CM , Davies GJ
Ref : Acta Crystallographica D Biol Crystallogr , 61 :194 , 2005
Abstract :
PubMedSearch : Tarbouriech_2005_Acta.Crystallogr.D.Biol.Crystallogr_61_194
PubMedID: 15681871
Gene_locus related to this paper: clotm-xyny