ID | 2851 |
Name | Oblongine |
Pubchem ID | 173713 |
KEGG ID | N/A |
Source | Leontice leontopetalumn |
Type | Natural |
Function | Unknown |
Drug Like Properties | Yes |
Molecular Weight | 314.40 |
Exact mass | 314.175619 |
Molecular formula | C19H24NO3+ |
XlogP | 3.1 |
Topological Polar Surface Area | 49.7 |
H-Bond Donor | 2 |
H-Bond Acceptor | 3 |
Rotational Bond Count | 3 |
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 SMILE | C[N+]1(CCC2=C(C1CC3=CC=C(C=C3)O)C(=C(C=C2)OC)O)C |
Isomeric SMILE | C[N+]1(CCC2=C([C@@H]1CC3=CC=C(C=C3)O)C(=C(C=C2)OC)O)C |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |