BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1896
NameColchicoinamide,N-Methyl-
Pubchem ID17798
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight398.45
Exact mass398.184172
Molecular formulaC22H26N2O5
XlogP1.5
Topological Polar Surface Area85.9
H-Bond Donor2
H-Bond Acceptor6
Rotational Bond Count5
IUPAC NameN-[(7S)-1,2,3-trimethoxy-10-methylamino-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NC)OC)OC)OC
Isomeric SMILECC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NC)OC)OC)OC
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