Record No. 1 of 1

ID2101
NameErysotrine
Pubchem ID442219
KEGG IDC09423
SourceErythrina crista-galli
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesYes
Molecular Weight313.39
Exact mass313.167794
Molecular formulaC19H23NO3
XlogP2.1
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Isomeric SMILECO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1
Drugpediawiki
References1. Ito,Chem. Pharm. Bull.,24,(1976),52
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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