BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2752
NameNCGC00180702-01
Pubchem ID24871233
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight377.47
Exact mass377.220223
Molecular formulaC21H31NO5
XlogP0.8
Topological Polar Surface Area57.2
H-Bond Donor0
H-Bond Acceptor6
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2CC3C(CC2C(=O)CC4=C(C1)C(=C(CC4)OC)OC)OCO3
Isomeric SMILEN/A
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