BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2784
NameN-Methylcolchamine
Pubchem ID23759
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight385.45
Exact mass385.188923
Molecular formulaC22H27NO5
XlogP1.8
Topological Polar Surface Area57.2
H-Bond Donor0
H-Bond Acceptor6
Rotational Bond Count5
IUPAC Name(7S)-7-dimethylamino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[g]heptalen-9-one
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN(C)C1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILECN(C)[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpediawiki
References1. Source  
2. Function  
3. All Records