BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1769
NameCID628239
Pubchem ID628239
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight422.31
Exact mass421.088871
Molecular formulaC20H24BrNO4
XlogP2.5
Topological Polar Surface Area40.2
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23C4C(C=CC2(C1CC5=C3C(=C(C=C5)OC)O4)Br)(OC)OC
Isomeric SMILEN/A
Drugpediawiki
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