BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID3261
NameStephanine
Pubchem ID160501
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionAdrenergic alpha-blocker
Drug Like PropertiesYes
Molecular Weight309.36
Exact mass309.136493
Molecular formulaC19H19NO3
XlogP3.3
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC=C5OC)OCO3
Isomeric SMILECN1CCC2=CC3=C(C4=C2[C@H]1CC5=C4C=CC=C5OC)OCO3
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