BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1091
NameAdiantifoline
Pubchem ID167937
KEGG IDC09323
SourceThalictrum minus
TypeNatural
FunctionHypotensive
Drug Like PropertiesNo
Molecular Weight726.85
Exact mass726.351631
Molecular formulaC42H50N2O9
XlogP6.6
Topological Polar Surface Area89.6
H-Bond Donor0
H-Bond Acceptor11
Rotational Bond Count12
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=C(C(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC)OC
Isomeric SMILECN1CCC2=C(C(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC)OC
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