BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2145
NameEschscholtzidine
Pubchem ID442222
KEGG IDC09426
SourceCryptocarya chinensis
TypeNatural
FunctionAntibacterial
Drug Like PropertiesYes
Molecular Weight339.39
Exact mass339.147058
Molecular formulaC20H21NO4
XlogP3.1
Topological Polar Surface Area40.2
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1C2CC3=CC4=C(C=C3C1CC5=CC(=C(C=C25)OC)OC)OCO4
Isomeric SMILECN1[C@H]2CC3=CC4=C(C=C3[C@@H]1CC5=CC(=C(C=C25)OC)OC)OCO4
Drugpediawiki
References1. Lin,Chem.Pharm.Bull.,50,(2002),157
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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