BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2678
NameMerobustinine
Pubchem ID211119
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight371.43
Exact mass371.173273
Molecular formulaC21H25NO5
XlogP3
Topological Polar Surface Area71.4
H-Bond Donor2
H-Bond Acceptor6
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CCC4=CC(=C(C(=C43)OC)O)OC)O)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CCC4=CC(=C(C(=C43)OC)O)OC)O)OC
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