BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2022
NameDicyclopropanoyl apomorphine
Pubchem ID3039140
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight403.47
Exact mass403.178358
Molecular formulaC25H25NO4
XlogP3.4
Topological Polar Surface Area55.8
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count6
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)OC(=O)C5CC5)OC(=O)C6CC6
Isomeric SMILECN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)OC(=O)C5CC5)OC(=O)C6CC6
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