Avenanthramide-B

Oat (Avena sativa) phytoalexin produced in response to pathogen attack and elicitation

General

Type : Natural, Feruloyl, Benzoate

Chemical_Nomenclature : 5-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoic acid

Canonical SMILES : COC1=C(C=CC(=C1)\/C=C\/C(=O)NC2=C(C=C(C=C2)O)C(=O)O)O

InChI : InChI=1S\/C17H15NO6\/c1-24-15-8-10(2-6-14(15)20)3-7-16(21)18-13-5-4-11(19)9-12(13)17(22)23\/h2-9,19-20H,1H3,(H,18,21)(H,22,23)\/b7-3+

InChIKey : JXFZHMCSCYADIX-XVNBXDOJSA-N

Other name(s) : Avenanthramide B  ||  Avenanthramide 1  ||  Avenanthramide BF  ||  Avenanthramide 2F  ||  SCHEMBL4671925  ||  SCHEMBL6013366  ||  CHEBI:167489


MW : 329.3

Formula : C17H15NO6

CAS_number : 108605-69-2

PubChem : 10087955

UniChem : JXFZHMCSCYADIX-XVNBXDOJSA-N

Target

Families : Avenanthramide-B ligand of proteins in family
Carboxylesterase Carb_B_Chordata

Protein :
human-CES1 pig-EST1

References (1)

Title : Compared Inhibitory Activities of Tamoxifen and Avenanthramide B on Liver Esterase and Correlation Based on the Superimposed Structure Between Porcine and Human Liver Esterase - Lim_2024_Int.J.Mol.Sci_25_13291
Author(s) : Lim H , Hwang S , Cho SH , Bak YS , Yang WS , Park D , Kim CH
Ref : Int J Mol Sci , 25 :_13291 , 2024
Abstract :
PubMedSearch : Lim_2024_Int.J.Mol.Sci_25_13291
PubMedID: 39769055
Gene_locus related to this paper: pig-EST1