BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1185
NameAnpec
Pubchem ID6321323
KEGG IDD02271
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight375.84
Exact mass375.144865
Molecular formulaC17H26ClNO6
XlogPN/A
Topological Polar Surface Area55.9
H-Bond Donor6
H-Bond Acceptor7
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.O.O.O.Cl
Isomeric SMILECN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(C=C4)O.O.O.O.Cl
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