BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2306
NameIsococculidine
Pubchem ID442300
KEGG IDC09546
SourceCocculus laurifolius
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight285.38
Exact mass285.172879
Molecular formulaC18H23NO2
XlogP2.5
Topological Polar Surface Area21.7
H-Bond Donor0
H-Bond Acceptor3
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(CCN2CCC4=C3C=C(C=C4)OC)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23[C@H](CCN2CCC4=C3C=C(C=C4)OC)C=C1
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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