BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2267
NameHernandalinol
Pubchem ID6454477
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight507.57
Exact mass507.225702
Molecular formulaC29H33NO7
XlogP4
Topological Polar Surface Area78.9
H-Bond Donor1
H-Bond Acceptor8
Rotational Bond Count8
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CO)OC)OC)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CO)OC)OC)OC)OC
Drugpediawiki
References1. Source  
2. Function  
3. All Records