BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2689
NameMetvine
Pubchem ID211103
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight342.86
Exact mass342.149891
Molecular formulaC20H23ClN2O
XlogPN/A
Topological Polar Surface Area29.1
H-Bond Donor1
H-Bond Acceptor3
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC=C1C[N+]2(CCC34C2CC1C(=C3NC5=CC=CC=C45)C=O)C.[Cl-]
Isomeric SMILECC=C1C[N+]2(CCC34[C@@H]2C[C@@H]1C(=C3NC5=CC=CC=C45)C=O)C.[Cl-]
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