BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID3453
NameTubocurarine
Pubchem ID6000
KEGG IDC07547
SourceChondrodendron tomentosum
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesNo
Molecular Weight609.73
Exact mass609.296462
Molecular formulaC37H41N2O6+
XlogP6
Topological Polar Surface Area80.6
H-Bond Donor2
H-Bond Acceptor7
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)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)C)OC
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References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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