ID | 1815 |
Name | Codeine |
Pubchem ID | 5284371 |
KEGG ID | C06174 |
Source | Papaver setigerum |
Type | Natural |
Function | Antitussive |
Drug Like Properties | Yes |
Molecular Weight | 299.36 |
Exact mass | 299.152144 |
Molecular formula | C18H21NO3 |
XlogP | 1.1 |
Topological Polar Surface Area | 41.9 |
H-Bond Donor | 1 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 1 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O |
Isomeric SMILE | CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O |
Drugpedia | wiki |
References | 1. Slavikova,Collect.Czech.Chem.Commun.,61,(1996),1047 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 1817 |
Name | Codeine |
Pubchem ID | 5284371 |
KEGG ID | C06174 |
Source | Papaver setigerum |
Type | Natural |
Function | Analgesic |
Drug Like Properties | Yes |
Molecular Weight | 299.36 |
Exact mass | 299.152144 |
Molecular formula | C18H21NO3 |
XlogP | 1.1 |
Topological Polar Surface Area | 41.9 |
H-Bond Donor | 1 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 1 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O |
Isomeric SMILE | CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O |
Drugpedia | wiki |
References | 1. Slavikova,Collect.Czech.Chem.Commun.,61,(1996),1047 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 1819 |
Name | Codeine |
Pubchem ID | 5284371 |
KEGG ID | C06174 |
Source | Papaver setigerum |
Type | Natural |
Function | Sedative |
Drug Like Properties | Yes |
Molecular Weight | 299.36 |
Exact mass | 299.152144 |
Molecular formula | C18H21NO3 |
XlogP | 1.1 |
Topological Polar Surface Area | 41.9 |
H-Bond Donor | 1 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 1 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O |
Isomeric SMILE | CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O |
Drugpedia | wiki |
References | 1. Slavikova,Collect.Czech.Chem.Commun.,61,(1996),1047 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2450 |
Name | Isoteolin |
Pubchem ID | 133323 |
KEGG ID | C09541 |
Source | Papaver setigerum |
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. Slavikova,Collect.Czech.Chem.Commun.,61,(1996),1047 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2604 |
Name | Magnoflorine |
Pubchem ID | 73337 |
KEGG ID | C09581 |
Source | Papaver setigerum |
Type | Natural |
Function | Hypotensive |
Drug Like Properties | Yes |
Molecular Weight | 342.41 |
Exact mass | 342.170533 |
Molecular formula | C20H24NO4+ |
XlogP | 2.7 |
Topological Polar Surface Area | 58.9 |
H-Bond Donor | 2 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C |
Isomeric SMILE | C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C |
Drugpedia | wiki |
References | 1. Slavikova,Collect.Czech.Chem.Commun.,61,(1996),1047 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2652 |
Name | Magnoflorine |
Pubchem ID | 73337 |
KEGG ID | C09581 |
Source | Papaver setigerum |
Type | Natural |
Function | Antioxidant |
Drug Like Properties | Yes |
Molecular Weight | 342.41 |
Exact mass | 342.170533 |
Molecular formula | C20H24NO4+ |
XlogP | 2.7 |
Topological Polar Surface Area | 58.9 |
H-Bond Donor | 2 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C |
Isomeric SMILE | C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C |
Drugpedia | wiki |
References | 1. Slavikova,Collect.Czech.Chem.Commun.,61,(1996),1047 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2702 |
Name | Morphine |
Pubchem ID | 5462237 |
KEGG ID | C01516 |
Source | Papaver setigerum |
Type | Natural |
Function | Antitussive |
Drug Like Properties | Yes |
Molecular Weight | 285.34 |
Exact mass | 285.136493 |
Molecular formula | C17H19NO3 |
XlogP | 0.8 |
Topological Polar Surface Area | 52.9 |
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 | CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O |
Isomeric SMILE | CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(C=C4)O |
Drugpedia | wiki |
References | 1. Slavikova,Collect.Czech.Chem.Commun.,61,(1996),1047 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2704 |
Name | Morphine |
Pubchem ID | 5462237 |
KEGG ID | C01516 |
Source | Papaver setigerum |
Type | Natural |
Function | Analgesic |
Drug Like Properties | Yes |
Molecular Weight | 285.34 |
Exact mass | 285.136493 |
Molecular formula | C17H19NO3 |
XlogP | 0.8 |
Topological Polar Surface Area | 52.9 |
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 | CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O |
Isomeric SMILE | CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(C=C4)O |
Drugpedia | wiki |
References | 1. Slavikova,Collect.Czech.Chem.Commun.,61,(1996),1047 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3252 |
Name | (S)-Scoulerine |
Pubchem ID | 439654 |
KEGG ID | C02106 |
Source | Papaver setigerum |
Type | Natural |
Function | Unknown |
Drug Like Properties | Yes |
Molecular Weight | 327.37 |
Exact mass | 327.147058 |
Molecular formula | C19H21NO4 |
XlogP | 2.6 |
Topological Polar Surface Area | 62.2 |
H-Bond Donor | 2 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 2 |
IUPAC Name | (13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O |
Isomeric SMILE | COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O |
Drugpedia | wiki |
References | 1. Slavikova,Collect.Czech.Chem.Commun.,61,(1996),1047 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3301 |
Name | Stylopine |
Pubchem ID | 440583 |
KEGG ID | C05175 |
Source | Papaver setigerum |
Type | Natural |
Function | Unknown |
Drug Like Properties | Yes |
Molecular Weight | 323.34 |
Exact mass | 323.115758 |
Molecular formula | C19H17NO4 |
XlogP | 3 |
Topological Polar Surface Area | 40.2 |
H-Bond Donor | 0 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 0 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | C1CN2CC3=C(CC2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6 |
Isomeric SMILE | C1CN2CC3=C(C[C@H]2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6 |
Drugpedia | wiki |
References | 1. Slavikova,Collect.Czech.Chem.Commun.,61,(1996),1047 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3420 |
Name | Thebaine |
Pubchem ID | 5324289 |
KEGG ID | C06173 |
Source | Papaver setigerum |
Type | Natural |
Function | Convulsions |
Drug Like Properties | Yes |
Molecular Weight | 311.37 |
Exact mass | 311.152144 |
Molecular formula | C19H21NO3 |
XlogP | 2.2 |
Topological Polar Surface Area | 30.9 |
H-Bond Donor | 0 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC |
Isomeric SMILE | CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC |
Drugpedia | wiki |
References | 1. Slavikova,Collect.Czech.Chem.Commun.,61,(1996),1047 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |