BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1253
Name(+)-Atherospermoline
Pubchem ID177154
KEGG IDC11141
SourceAtherosperma moschatum
TypeNatural
FunctionHypotensive
Drug Like PropertiesNo
Molecular Weight594.70
Exact mass594.272987
Molecular formulaC36H38N2O6
XlogP5.7
Topological Polar Surface Area83.9
H-Bond Donor2
H-Bond Acceptor8
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC
Isomeric SMILECN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC
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References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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