BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2770
NameN-Formyldemecolcine
Pubchem ID26819
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight399.44
Exact mass399.168188
Molecular formulaC22H25NO6
XlogP1.3
Topological Polar Surface Area74.3
H-Bond Donor0
H-Bond Acceptor6
Rotational Bond Count5
IUPAC NameN-methyl-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]formamide
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN(C=O)C1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILECN(C=O)[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
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