| ID | 2052 |
| Name | DL-Laudanine |
| Pubchem ID | 442304 |
| KEGG ID | C09555 |
| Source | Stephania bancroftii |
| Type | Natural |
| Function | Convulsions |
| Drug Like Properties | Yes |
| Molecular Weight | 343.42 |
| Exact mass | 343.178358 |
| Molecular formula | C20H25NO4 |
| XlogP | 3.3 |
| Topological Polar Surface Area | 51.2 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 5 |
| IUPAC Name | 5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenol |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)OC |
| Isomeric SMILE | CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)O)OC)OC |
| Drugpedia | wiki |
| References | 1. Blanchfield,Nat.Prod.Lett.,3,(1993),305 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
| ID | 3311 |
| Name | Tetrahydropalmatine |
| Pubchem ID | 72301 |
| KEGG ID | C02890 |
| Source | Stephania bancroftii |
| Type | Natural |
| Function | Cytotoxic |
| Drug Like Properties | Yes |
| Molecular Weight | 355.43 |
| Exact mass | 355.178358 |
| Molecular formula | C21H25NO4 |
| XlogP | 3.2 |
| Topological Polar Surface Area | 40.2 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 4 |
| IUPAC Name | (13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC |
| Isomeric SMILE | COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |
| ID | 3334 |
| Name | Tetrahydropalmatine |
| Pubchem ID | 72301 |
| KEGG ID | C02890 |
| Source | Stephania bancroftii |
| Type | Natural |
| Function | Tranquilizer |
| Drug Like Properties | Yes |
| Molecular Weight | 355.43 |
| Exact mass | 355.178358 |
| Molecular formula | C21H25NO4 |
| XlogP | 3.2 |
| Topological Polar Surface Area | 40.2 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 4 |
| IUPAC Name | (13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC |
| Isomeric SMILE | COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |