BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2820
NameNSC153190
Pubchem ID290191
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight484.63
Exact mass484.251464
Molecular formulaC34H32N2O
XlogP6.6
Topological Polar Surface Area15.7
H-Bond Donor0
H-Bond Acceptor3
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC=CC3=C2C1CC4=C3C=C(C=C4)OC5=CC6=C(C=C5)C7=C8C(C6)N(CCC8=CC=C7)C
Isomeric SMILECN1CCC2=CC=CC3=C2[C@H]1CC4=C3C=C(C=C4)OC5=CC6=C(C=C5)C7=C8[C@@H](C6)N(CCC8=CC=C7)C
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