BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1122
NameAllocryptopine
Pubchem ID98570
KEGG IDC02134
SourceGlaucium arabicum
TypeNatural
FunctionOxytocic agent
Drug Like PropertiesYes
Molecular Weight369.41
Exact mass369.157623
Molecular formulaC21H23NO5
XlogP2.9
Topological Polar Surface Area57.2
H-Bond Donor0
H-Bond Acceptor6
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3
Isomeric SMILEN/A
Drugpediawiki
References1. Halim,J.Pharm.Sci.,10,(1994),265
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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