BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2021
NameDicentrine
Pubchem ID101300
KEGG IDN/A
SourceCassytha filiformis
TypeNatural
FunctionAnticancer
Drug Like PropertiesYes
Molecular Weight339.39
Exact mass339.147058
Molecular formulaC20H21NO4
XlogP3.2
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 SMILECN1CCC2=CC3=C(C4=C2C1CC5=CC(=C(C=C54)OC)OC)OCO3
Isomeric SMILECN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC(=C(C=C54)OC)OC)OCO3
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