MetaADEDB 2.0 @ LMMD
alloin
(AFHJQYHRLPMKHU-CGISPIQUSA-N)
Structure
SMILES
OCc1cc(O)c2c(c1)C([C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1c(C2=O)c(O)ccc1
Molecular Formula:
C21H22O9
Molecular Weight:
418.394
Log P:
-0.8912
Hydrogen Bond Acceptor:
9
Hydrogen Bond Donor:
7
TPSA:
167.91
CAS Number(s):
5133-19-7; 8015-61-0; 452311-56-7
Synonym(s)
1.
alloin
2.
aloin
3.
aloin A
4.
aloin B
External Link(s)
MeSHC006457
PubChem Compound9866696
BindingDB50269016
ChEBI73222
CHEMBLCHEMBL497001
DrugBankDB15477
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Chemical and Drug Induced Liver Injury30380640CTD
2Hyperplasia28525602CTD
3Lung Injury30769049CTD
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