BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1144
NameAlpinine
Pubchem ID442162
KEGG IDC09331
SourcePapaver alpinum
TypeNatural
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight415.48
Exact mass415.199488
Molecular formulaC23H29NO6
XlogP2.6
Topological Polar Surface Area58.6
H-Bond Donor0
H-Bond Acceptor7
Rotational Bond Count5
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C=C2C3C1C4=C(C(O3)OC)C(=C(C=C4)OC)OC)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C=C2[C@H]3[C@H]1C4=C([C@H](O3)OC)C(=C(C=C4)OC)OC)OC)OC
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References1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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