BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1967
NameCularimine
Pubchem ID442211
KEGG IDC09410
SourceDicentra eximia
TypeNatural
FunctionAntineoplastic
Drug Like PropertiesYes
Molecular Weight327.37
Exact mass327.147058
Molecular formulaC19H21NO4
XlogP2.8
Topological Polar Surface Area49
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C2C3=C(CCNC3CC4=CC(=C(C=C4O2)OC)OC)C=C1
Isomeric SMILECOC1=C2C3=C(CCN[C@H]3CC4=CC(=C(C=C4O2)OC)OC)C=C1
Drugpediawiki
References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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