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Inhibitor Report for: Aflatoxin-M1

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


General
Type Natural, Toxin, 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
IUPHAR|
Wikipedia|Aflatoxin

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

References:
Search PubMed for references concerning: Aflatoxin-M1
    Title: Surface screening, molecular modeling and in vitro studies on the interactions of aflatoxin M1 and human enzymes acetyl- and butyrylcholinesterase
    de Almeida JSFD, Cavalcante SFA, Dolezal R, Kuca K, Musilek K, Jun D, Franca TCC
    Ref: Chemico-Biological Interactions, 308:113, 2019 : PubMed