BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2316
NameIsocorydine
Pubchem ID10143
KEGG IDC09549
SourceBerberis vulgaris
TypeNatural
FunctionCalcium channel blocker
Drug Like PropertiesYes
Molecular Weight341.40
Exact mass341.162708
Molecular formulaC20H23NO4
XlogP2.6
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpediawiki
References1. Slavik,Collect.Czech.Chem.Commun.,60,(1995),1034
2. Yusupov,Khim.Prir.Soedin.,(1993),44
3. Khamidov,Khim.Prir.Soedin.,(1995),503
4. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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