| ID | 1173 |
| Name | Anonaine |
| Pubchem ID | 160597 |
| KEGG ID | C09339 |
| Source | Rollinia mucosa |
| Type | Natural |
| Function | Antimicrobial |
| Drug Like Properties | Yes |
| Molecular Weight | 265.31 |
| Exact mass | 265.110279 |
| Molecular formula | C17H15NO2 |
| XlogP | 2.8 |
| Topological Polar Surface Area | 30.5 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 3 |
| Rotational Bond Count | 0 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5 |
| Isomeric SMILE | C1CN[C@@H]2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5 |
| Drugpedia | wiki |
| References | 1. Chen,J.Nat.Prod.,59,(1996),904 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
| ID | 1181 |
| Name | Anonaine |
| Pubchem ID | 160597 |
| KEGG ID | C09339 |
| Source | Rollinia mucosa |
| Type | Natural |
| Function | Smooth muscle relaxant |
| Drug Like Properties | Yes |
| Molecular Weight | 265.31 |
| Exact mass | 265.110279 |
| Molecular formula | C17H15NO2 |
| XlogP | 2.8 |
| Topological Polar Surface Area | 30.5 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 3 |
| Rotational Bond Count | 0 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5 |
| Isomeric SMILE | C1CN[C@@H]2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5 |
| Drugpedia | wiki |
| References | 1. Chen,J.Nat.Prod.,59,(1996),904 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
| ID | 2208 |
| Name | Glaucine |
| Pubchem ID | 16754 |
| KEGG ID | C09446 |
| Source | Rollinia mucosa |
| Type | Natural |
| Function | Antitussive |
| Drug Like Properties | Yes |
| Molecular Weight | 355.43 |
| Exact mass | 355.178358 |
| Molecular formula | C21H25NO4 |
| XlogP | 3.4 |
| Topological Polar Surface Area | 40.2 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 4 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC |
| Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC |
| Drugpedia | wiki |
| References | 1. Chen,J.Nat.Prod.,59,(1996),904 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
| ID | 2237 |
| Name | Glaucine |
| Pubchem ID | 16754 |
| KEGG ID | C09446 |
| Source | Rollinia mucosa |
| Type | Natural |
| Function | Antioxidant |
| Drug Like Properties | Yes |
| Molecular Weight | 355.43 |
| Exact mass | 355.178358 |
| Molecular formula | C21H25NO4 |
| XlogP | 3.4 |
| Topological Polar Surface Area | 40.2 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 4 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC |
| Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC |
| Drugpedia | wiki |
| References | 1. Chen,J.Nat.Prod.,59,(1996),904 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |