| ID | 1989 |
| Name | Daphnoline |
| Pubchem ID | 261477 |
| KEGG ID | C09418 |
| Source | Pachygone dasycarpa |
| Type | Natural |
| Function | Antiparasitic |
| Drug Like Properties | No |
| Molecular Weight | 580.67 |
| Exact mass | 580.257337 |
| Molecular formula | C35H36N2O6 |
| XlogP | 5.5 |
| Topological Polar Surface Area | 92.7 |
| H-Bond Donor | 3 |
| H-Bond Acceptor | 8 |
| Rotational Bond Count | 2 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6)OC)O3)O)O)OC |
| Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6)OC)O3)O)O)OC |
| Drugpedia | wiki |
| References | 1. Guinaudeau,J.Nat.Prod.,60,(1997),258 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
| ID | 2446 |
| Name | Isoteolin |
| Pubchem ID | 133323 |
| KEGG ID | C09541 |
| Source | Pachygone dasycarpa |
| Type | Natural |
| Function | Insect feeding inhibitor |
| Drug Like Properties | Yes |
| Molecular Weight | 327.37 |
| Exact mass | 327.147058 |
| Molecular formula | C19H21NO4 |
| XlogP | 2.2 |
| Topological Polar Surface Area | 62.2 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 2 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC |
| Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)O)OC |
| Drugpedia | wiki |
| References | 1. Guinaudeau,J.Nat.Prod.,60,(1997),258 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
| ID | 3365 |
| Name | Tetrandrine |
| Pubchem ID | 73078 |
| KEGG ID | C09654 |
| Source | Pachygone dasycarpa |
| 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. Guinaudeau,J.Nat.Prod.,60,(1997),258 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
| ID | 3373 |
| Name | Tetrandrine |
| Pubchem ID | 73078 |
| KEGG ID | C09654 |
| Source | Pachygone dasycarpa |
| 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. Guinaudeau,J.Nat.Prod.,60,(1997),258 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |