MetaADEDB 2.0 @ LMMD
2,4,6-trihydroxyacetophenone
(XLEYFDVVXLMULC-UHFFFAOYSA-N)
Structure
SMILES
CC(=O)c1c(O)cc(cc1O)O
Molecular Formula:
C8H8O4
Molecular Weight:
168.147
Log P:
1.0060
Hydrogen Bond Acceptor:
4
Hydrogen Bond Donor:
3
TPSA:
77.76
CAS Number(s):
480-66-0
Synonym(s)
1.
2,4,6-trihydroxyacetophenone
2.
2,4,-dihydroxy-acetophenone
3.
2,4,6-THA
4.
2,4,6-trihydroxy-acetophenone
5.
4-mono-hydroxy-acetophenone
6.
phloracetophenone
7.
phloroacetophenone
External Link(s)
MeSHC107067
PubChem Compound68073
BindingDB50249070
ChEBI64344
CHEMBLCHEMBL452477
KEGGcpd:C21895
ZINC157773
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Cholestasis11879983CTD
2Liver diseases11879983CTD
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120269

Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.