MetaADEDB 2.0 @ LMMD
baicalin
(IKIIZLYTISPENI-ZFORQUDYSA-N)
Structure
SMILES
OC(=O)[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O
Molecular Formula:
C21H18O11
Molecular Weight:
446.361
Log P:
0.1422
Hydrogen Bond Acceptor:
11
Hydrogen Bond Donor:
6
TPSA:
187.12
CAS Number(s):
21967-41-9; 31564-28-0
Synonym(s)
1.
baicalin
2.
7-D-glucuronic acid-5,6-dihydroxy-flavone
3.
7-D-glucuronic acid-5,6-dihydroxyflavone
External Link(s)
MeSHC038044
PubChem Compound64982
BindingDB50242173
ChEBI2981
CHEMBLCHEMBL485818
DrugCentral4055
KEGGcpd:C10025
Therapeutic Target DatabaseD08PUW
ZINC3943903
Adverse Drug Event(s)
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