BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1779
NameCID633810
Pubchem ID633810
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight422.30
Exact mass421.084764
Molecular formulaC21H21Cl2NO4
XlogP3.7
Topological Polar Surface Area56.8
H-Bond Donor1
H-Bond Acceptor4
Rotational Bond Count4
IUPAC NameN-(9,10-dichloro-1,2,3-trimethoxy-5,6-dihydrobenzo[d]heptalen-7-yl)acetamide
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC(=O)NC1=C2C=C(C(=CC=C2C3=C(C(=C(C=C3CC1)OC)OC)OC)Cl)Cl
Isomeric SMILEN/A
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