| ID | 3106 |
| Name | (R)-N-Methylcoclaurine |
| Pubchem ID | 440595 |
| KEGG ID | C05243 |
| Source | Cyclea peltata |
| Type | Natural |
| Function | Unknown |
| Drug Like Properties | Yes |
| Molecular Weight | 299.36 |
| Exact mass | 299.152144 |
| Molecular formula | C18H21NO3 |
| XlogP | 3 |
| Topological Polar Surface Area | 52.9 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 4 |
| Rotational Bond Count | 3 |
| IUPAC Name | (1R)-1-[(4-hydroxyphenyl)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)O)O)OC |
| Isomeric SMILE | CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)O)OC |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |
| ID | 3364 |
| Name | Tetrandrine |
| Pubchem ID | 73078 |
| KEGG ID | C09654 |
| Source | Cyclea peltata |
| Type | Natural |
| Function | Anti-inflammatory |
| Drug Like Properties | No |
| Molecular Weight | 622.75 |
| Exact mass | 622.304287 |
| Molecular formula | C38H42N2O6 |
| XlogP | 6.4 |
| Topological Polar Surface Area | 61.9 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 8 |
| Rotational Bond Count | 4 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC |
| Isomeric SMILE | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC |
| Drugpedia | wiki |
| References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
| ID | 3372 |
| Name | Tetrandrine |
| Pubchem ID | 73078 |
| KEGG ID | C09654 |
| Source | Cyclea peltata |
| Type | Natural |
| Function | Antifibrotic |
| Drug Like Properties | No |
| Molecular Weight | 622.75 |
| Exact mass | 622.304287 |
| Molecular formula | C38H42N2O6 |
| XlogP | 6.4 |
| Topological Polar Surface Area | 61.9 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 8 |
| Rotational Bond Count | 4 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC |
| Isomeric SMILE | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC |
| Drugpedia | wiki |
| References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |