Record No. 1 of 1

ID2851
NameOblongine
Pubchem ID173713
KEGG IDN/A
SourceLeontice leontopetalumn
TypeNatural
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight314.40
Exact mass314.175619
Molecular formulaC19H24NO3+
XlogP3.1
Topological Polar Surface Area49.7
H-Bond Donor2
H-Bond Acceptor3
Rotational Bond Count3
IUPAC Name(1S)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]1(CCC2=C(C1CC3=CC=C(C=C3)O)C(=C(C=C2)OC)O)C
Isomeric SMILEC[N+]1(CCC2=C([C@@H]1CC3=CC=C(C=C3)O)C(=C(C=C2)OC)O)C
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