BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2044
NameDiscretamine
Pubchem ID22955
KEGG IDC12326
SourceN/A
TypeUnknown
FunctionHypotensive
Drug Like PropertiesYes
Molecular Weight327.37
Exact mass327.147058
Molecular formulaC19H21NO4
XlogP2.6
Topological Polar Surface Area62.2
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count2
IUPAC Name3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O
Isomeric SMILEN/A
Drugpediawiki
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