| ID | 1187 |
| Name | Apocodeine |
| Pubchem ID | 12545 |
| KEGG ID | N/A |
| Source | Monomethyl ether of apomorphine |
| Type | Unknown |
| Function | Expectorant |
| Drug Like Properties | Yes |
| Molecular Weight | 281.35 |
| Exact mass | 281.141579 |
| Molecular formula | C18H19NO2 |
| XlogP | 2.6 |
| Topological Polar Surface Area | 32.7 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 3 |
| Rotational Bond Count | 1 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)OC)O |
| Isomeric SMILE | CN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)OC)O |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |
| ID | 1189 |
| Name | Apocodeine hydrochloride |
| Pubchem ID | 22872 |
| KEGG ID | N/A |
| Source | Monomethyl ether of apomorphine |
| Type | Unknown |
| Function | Expectorant |
| Drug Like Properties | No |
| Molecular Weight | 317.81 |
| Exact mass | 317.118257 |
| Molecular formula | C18H20ClNO2 |
| XlogP | N/A |
| Topological Polar Surface Area | 33.9 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 3 |
| Rotational Bond Count | 1 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | C[NH+]1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)OC)O.[Cl-] |
| Isomeric SMILE | C[NH+]1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)OC)O.[Cl-] |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |
| ID | 2060 |
| Name | Emetamine |
| Pubchem ID | 442217 |
| KEGG ID | C09420 |
| Source | Cephaelis acuminata |
| Type | Natural |
| Function | Expectorant |
| Drug Like Properties | No |
| Molecular Weight | 476.61 |
| Exact mass | 476.267508 |
| Molecular formula | C29H36N2O4 |
| XlogP | 5.4 |
| Topological Polar Surface Area | 53.1 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 6 |
| Rotational Bond Count | 7 |
| IUPAC Name | (2R,3R,11bS)-2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinoline |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4=NC=CC5=CC(=C(C=C54)OC)OC)OC)OC |
| Isomeric SMILE | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1CC4=NC=CC5=CC(=C(C=C54)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 | 2061 |
| Name | Emetamine |
| Pubchem ID | 442217 |
| KEGG ID | C09420 |
| Source | Cephaelis ipecacuanha |
| Type | Natural |
| Function | Expectorant |
| Drug Like Properties | No |
| Molecular Weight | 476.61 |
| Exact mass | 476.267508 |
| Molecular formula | C29H36N2O4 |
| XlogP | 5.4 |
| Topological Polar Surface Area | 53.1 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 6 |
| Rotational Bond Count | 7 |
| IUPAC Name | (2R,3R,11bS)-2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinoline |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4=NC=CC5=CC(=C(C=C54)OC)OC)OC)OC |
| Isomeric SMILE | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1CC4=NC=CC5=CC(=C(C=C54)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 |