ID | 2353 |
Name | Isocorydine |
Pubchem ID | 10143 |
KEGG ID | C09549 |
Source | Thalictrum pedunculatum |
Type | Natural |
Function | Calcium channel blocker |
Drug Like Properties | Yes |
Molecular Weight | 341.40 |
Exact mass | 341.162708 |
Molecular formula | C20H23NO4 |
XlogP | 2.6 |
Topological Polar Surface Area | 51.2 |
H-Bond Donor | 1 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 3 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC |
Drugpedia | wiki |
References | 1. Hussain,J.Nat.Prod.,52,(1989),428 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2400 |
Name | Isocorydine |
Pubchem ID | 10143 |
KEGG ID | C09549 |
Source | Thalictrum pedunculatum |
Type | Natural |
Function | Sedative |
Drug Like Properties | Yes |
Molecular Weight | 341.40 |
Exact mass | 341.162708 |
Molecular formula | C20H23NO4 |
XlogP | 2.6 |
Topological Polar Surface Area | 51.2 |
H-Bond Donor | 1 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 3 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC |
Drugpedia | wiki |
References | 1. Hussain,J.Nat.Prod.,52,(1989),428 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2964 |
Name | Pronuciferine |
Pubchem ID | 200480 |
KEGG ID | C09611 |
Source | Thalictrum pedunculatum |
Type | Natural |
Function | Anaesthetic |
Drug Like Properties | Yes |
Molecular Weight | 311.37 |
Exact mass | 311.152144 |
Molecular formula | C19H21NO3 |
XlogP | 2.5 |
Topological Polar Surface Area | 38.8 |
H-Bond Donor | 0 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)OC)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@H]1CC34C=CC(=O)C=C4)OC)OC |
Drugpedia | wiki |
References | 1. Hussain,J.Nat.Prod.,52,(1989),428 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3079 |
Name | Reticuline |
Pubchem ID | 10233 |
KEGG ID | C12328 |
Source | Thalictrum pedunculatum |
Type | Natural |
Function | Dopamine Antagonist |
Drug Like Properties | Yes |
Molecular Weight | 329.39 |
Exact mass | 329.162708 |
Molecular formula | C19H23NO4 |
XlogP | 3 |
Topological Polar Surface Area | 62.2 |
H-Bond Donor | 2 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 4 |
IUPAC Name | 1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Hussain,J.Nat.Prod.,52,(1989),428 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |