Aloe-emodin-C3
rat ACHE IC(50) 90 nM
General
Chemical_Nomenclature : 1,8-dihydroxy-3-(pyridin-1-ium-1-ylmethyl)anthracene-9,10-dione\;chloride
Canonical SMILES : C1=CC=[N+](C=C1)CC2=CC3=C(C(=C2)O)C(=O)C4=C(C3=O)C=CC=C4O.[Cl-]
InChI : InChI=1S\/C20H13NO4.ClH\/c22-15-6-4-5-13-17(15)20(25)18-14(19(13)24)9-12(10-16(18)23)11-21-7-2-1-3-8-21\;\/h1-10H,11H2,(H-,22,23,25)\;1H
InChIKey : AGBKPHKEUANBSI-UHFFFAOYSA-N
Other name(s) : CHEMBL2338670 || AChE Inhibitor C3 || Compound C3 || GLXC-01516 || 1-((4,5-Dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl) methyl)pyridin-1-ium chloride || CHEMBL2365853 || BDBM50429847
Target
Families : Aloe-emodin-C3 ligand of proteins in family
ACHE
Protein :
human-ACHE
References (1)
| Title : Synthesis, biological evaluation and molecular modeling of aloe-emodin derivatives as new acetylcholinesterase inhibitors - Shi_2013_Bioorg.Med.Chem_21_1064 |
| Author(s) : Shi DH , Huang W , Li C , Wang LT , Wang SF |
| Ref : Bioorganic & Medicinal Chemistry , 21 :1064 , 2013 |
| Abstract : |
| PubMedSearch : Shi_2013_Bioorg.Med.Chem_21_1064 |
| PubMedID: 23380475 |