| ID | 1165 |
| Name | Anolobine |
| Pubchem ID | 164710 |
| KEGG ID | C09338 |
| Source | Guatteria goudotiana |
| Type | Natural |
| Function | Antimicrobial |
| Drug Like Properties | Yes |
| Molecular Weight | 281.31 |
| Exact mass | 281.105193 |
| Molecular formula | C17H15NO3 |
| XlogP | 2.5 |
| Topological Polar Surface Area | 50.7 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 4 |
| Rotational Bond Count | 0 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | C1CNC2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5 |
| Isomeric SMILE | C1CN[C@@H]2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5 |
| Drugpedia | wiki |
| References | 1. Castedo,Phytochem.,30,(1991),2781 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
| ID | 2436 |
| Name | Isoteolin |
| Pubchem ID | 133323 |
| KEGG ID | C09541 |
| Source | Guatteria goudotiana |
| 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. Castedo,Phytochem.,30,(1991),2781 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
| ID | 3061 |
| Name | Reticuline |
| Pubchem ID | 10233 |
| KEGG ID | C12328 |
| Source | Guatteria goudotiana |
| 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. Castedo,Phytochem.,30,(1991),2781 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |