BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID3430
NameTHPV HBr
Pubchem ID2724278
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight368.22
Exact mass367.041921
Molecular formulaC16H18BrNO4
XlogPN/A
Topological Polar Surface Area93
H-Bond Donor5
H-Bond Acceptor5
Rotational Bond Count2
IUPAC Name1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diolhydrobromide
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC1CNC(C2=CC(=C(C=C21)O)O)CC3=CC(=C(C=C3)O)O.Br
Isomeric SMILEN/A
Drugpediawiki
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