BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2160
NameFangchinoline 7-acetate
Pubchem ID289308
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight650.76
Exact mass650.299202
Molecular formulaC39H42N2O7
XlogP6.2
Topological Polar Surface Area78.9
H-Bond Donor0
H-Bond Acceptor9
Rotational Bond Count5
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC(=O)OC1=C(C=C2CCN(C3C2=C1OC4=C(C=C5CCN(C(C5=C4)CC6=CC=C(C=C6)OC7=C(C=CC(=C7)C3)OC)C)OC)C)OC
Isomeric SMILECC(=O)OC1=C(C=C2CCN([C@@H]3C2=C1OC4=C(C=C5CCN([C@H](C5=C4)CC6=CC=C(C=C6)OC7=C(C=CC(=C7)C3)OC)C)OC)C)OC
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