BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID3450
NameTrimethylcolchicinic acid methyl ether
Pubchem ID34084
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight507.49
Exact mass507.174061
Molecular formulaC24H29NO11
XlogPN/A
Topological Polar Surface Area195
H-Bond Donor5
H-Bond Acceptor12
Rotational Bond Count7
IUPAC Name(7S)-7-amino-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[g]heptalen-9-one; 2,3-dihydroxybutanedioic acid
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)N.C(C(C(=O)O)O)(C(=O)O)O
Isomeric SMILECOC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)N.C(C(C(=O)O)O)(C(=O)O)O
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