BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2277
NameHomochelidonine
Pubchem ID164609
KEGG IDC12257
SourceChelidonium majus
TypeNatural
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight369.41
Exact mass369.157623
Molecular formulaC21H23NO5
XlogP2.3
Topological Polar Surface Area60.4
H-Bond Donor1
H-Bond Acceptor6
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CC2=C(C=CC(=C2OC)OC)C3C1C4=CC5=C(C=C4CC3O)OCO5
Isomeric SMILECN1CC2=C(C=CC(=C2OC)OC)[C@@H]3[C@H]1C4=CC5=C(C=C4C[C@@H]3O)OCO5
Drugpediawiki
References1. Lee,J.Chin.Chem.Soc.,38,(1991),389
2. Buzuk,Farmatisiya,40,(1991),37
3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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