Aflatoxin-M1

A 4-hydroxylated metabolite of Aflatoxin B1, one of the mycotoxins from Aspergillus tainted food.

General

Type : Natural, Toxin, Polyketide, Mycotoxin-metabolite

Chemical_Nomenclature : (3R,7R)-3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione

Canonical SMILES : COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)OC5C4(C=CO5)O

InChI : InChI=1S\/C17H12O7\/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14\/h4-6,16,20H,2-3H2,1H3\/t16-,17-\/m1\/s1

InChIKey : MJBWDEQAUQTVKK-IAGOWNOFSA-N

Other name(s) : Aflatoxin M1  ||  4-Hydroxyaflatoxin B1  ||  UNII-I3020O28I3  ||  I3020O28I3


MW : 328.27

Formula : C17H12O7

CAS_number : 6795-23-9

PubChem : 15558498

UniChem : MJBWDEQAUQTVKK-IAGOWNOFSA-N

Wikipedia : Aflatoxin

Target

Families : Aflatoxin-M1 ligand of proteins in family
ACHE BCHE

References (1)

Title : Surface screening, molecular modeling and in vitro studies on the interactions of aflatoxin M1 and human enzymes acetyl- and butyrylcholinesterase - de Almeida_2019_Chem.Biol.Interact_13ChEPon_308_113
Author(s) : de Almeida JSFD , Cavalcante SFA , Dolezal R , Kuca K , Musilek K , Jun D , Franca TCC
Ref : Chemico-Biological Interactions , 308 :113 , 2019
Abstract :
PubMedSearch : de Almeida_2019_Chem.Biol.Interact_13ChEPon_308_113
PubMedID: 31100275