BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1743
NameChondocurine
Pubchem ID14947
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionAnti-inflammatory
Drug Like PropertiesNo
Molecular Weight594.70
Exact mass594.272987
Molecular formulaC36H38N2O6
XlogP6
Topological Polar Surface Area83.9
H-Bond Donor2
H-Bond Acceptor8
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
Isomeric SMILECN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
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