BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2863
NameO,O'-Di(4-methylbenzoyl)apomorphine
Pubchem ID3063002
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight503.59
Exact mass503.209658
Molecular formulaC33H29NO4
XlogP6.6
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 SMILECC1=CC=C(C=C1)C(=O)OC2=C(C3=C(CC4C5=C3C=CC=C5CCN4C)C=C2)OC(=O)C6=CC=C(C=C6)C
Isomeric SMILECC1=CC=C(C=C1)C(=O)OC2=C(C3=C(C[C@@H]4C5=C3C=CC=C5CCN4C)C=C2)OC(=O)C6=CC=C(C=C6)C
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