BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2566
NameLS-97014
Pubchem ID3046131
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight599.16
Exact mass598.259835
Molecular formulaC36H39ClN2O4
XlogPN/A
Topological Polar Surface Area87.4
H-Bond Donor5
H-Bond Acceptor6
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O.CCN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O.Cl
Isomeric SMILECCN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)O)O.CCN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)O)O.Cl
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