VXX

METHYL VANILLATE

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is present as a standalone ligand in 2 entries

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Chemical Component Summary
Name	METHYL VANILLATE
Identifiers	methyl 4-hydroxy-3-methoxy-benzoate
Formula	C₉ H₁₀ O₄
Molecular Weight	182.173
Type	NON-POLYMER
Isomeric SMILES	COc1cc(ccc1O)C(=O)OC
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

Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	6

Drug Info: DrugBank

DrugBank ID	DB08711 ?
Name	Methyl vanillate
Groups	experimental
Synonyms	Methyl 3-methoxy-4-hydroxybenzoate Vanillic acid, methyl ester 4-hydroxy-3-methoxy methyl benzoate 4-hydroxy-3-methoxybenzoic acid methyl ester Methyl vanillate Methyl 4-hydroxy-3-methoxybenzoate
Categories	Acids, Carbocyclic Benzene Derivatives Benzoates Hydroxy Acids Hydroxybenzoate Ethers Hydroxybenzoates Phenols Phenyl Ethers
CAS number	3943-74-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Endo-1,4-beta-xylanase Y	MKNKRVLAKITALVVLLGVFFVLPSNISQLYADYEVVHDTFEVNFDGWCN...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682