BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1766
NameCID596431
Pubchem ID596431
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight301.34
Exact mass301.131408
Molecular formulaC17H19NO4
XlogP2.2
Topological Polar Surface Area82
H-Bond Donor4
H-Bond Acceptor5
Rotational Bond Count3
IUPAC Name1-[(4-hydroxy-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=CC(=C1)CC2C3=CC(=C(C=C3CCN2)O)O)O
Isomeric SMILEN/A
Drugpediawiki
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