BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1883
NameColchicine analog
Pubchem ID453136
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight370.44
Exact mass370.189257
Molecular formulaC21H26N2O4
XlogP1
Topological Polar Surface Area74
H-Bond Donor1
H-Bond Acceptor6
Rotational Bond Count4
IUPAC Name(7S)-7-amino-10-dimethylamino-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[g]heptalen-9-one
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN(C)C1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)N
Isomeric SMILECN(C)C1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)N
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