ID | 2896 |
Name | Papaveraldine |
Pubchem ID | 5361176 |
KEGG ID | N/A |
Source | Degradation product of papaverine |
Type | Unknown |
Function | Relaxant |
Drug Like Properties | No |
Molecular Weight | 444.91 |
Exact mass | 444.1452 |
Molecular formula | C23H25ClN2O5 |
XlogP | N/A |
Topological Polar Surface Area | 73 |
H-Bond Donor | 1 |
H-Bond Acceptor | 7 |
Rotational Bond Count | 9 |
IUPAC Name | (E)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]-prop-2-enoxyazanium chloride |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C(C=C(C=C1)C(=[NH+]OCC=C)C2=NC=CC3=CC(=C(C=C32)OC)OC)OC.[Cl-] |
Isomeric SMILE | COC1=C(C=C(C=C1)/C(=[NH+]OCC=C)/C2=NC=CC3=CC(=C(C=C32)OC)OC)OC.[Cl-] |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 2897 |
Name | Papaveraldine |
Pubchem ID | 96932 |
KEGG ID | N/A |
Source | Degradation product of papaverine |
Type | Natural |
Function | Relaxant |
Drug Like Properties | Yes |
Molecular Weight | 353.37 |
Exact mass | 353.126323 |
Molecular formula | C20H19NO5 |
XlogP | 3.7 |
Topological Polar Surface Area | 66.9 |
H-Bond Donor | 0 |
H-Bond Acceptor | 6 |
Rotational Bond Count | 6 |
IUPAC Name | (6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methanone |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C(C=C(C=C1)C(=O)C2=NC=CC3=CC(=C(C=C32)OC)OC)OC |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 2911 |
Name | Papaverinol |
Pubchem ID | 275192 |
KEGG ID | N/A |
Source | Degradation product of papaverine |
Type | Unknown |
Function | Relaxant |
Drug Like Properties | Yes |
Molecular Weight | 355.38 |
Exact mass | 355.141973 |
Molecular formula | C20H21NO5 |
XlogP | 2.8 |
Topological Polar Surface Area | 70 |
H-Bond Donor | 1 |
H-Bond Acceptor | 6 |
Rotational Bond Count | 6 |
IUPAC Name | (6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methanol |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)O)OC |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |