BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2055
NameDomesticine
Pubchem ID164611
KEGG IDN/A
SourceSynthetic
TypeUnknown
FunctionAdrenergic alpha-blocker
Drug Like PropertiesYes
Molecular Weight325.36
Exact mass325.131408
Molecular formulaC19H19NO4
XlogP2.9
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=CC5=C(C=C43)OCO5)O)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC5=C(C=C43)OCO5)O)OC
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