ID | 2168 |
Name | Fugapavine |
Pubchem ID | 121336 |
KEGG ID | C09588 |
Source | Papaver albiflorum |
Type | Natural |
Function | Convulsions |
Drug Like Properties | Yes |
Molecular Weight | 295.33 |
Exact mass | 295.120843 |
Molecular formula | C18H17NO3 |
XlogP | 2.4 |
Topological Polar Surface Area | 38.8 |
H-Bond Donor | 0 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 0 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC3=C(C4=C2C1CC45C=CC(=O)C=C5)OCO3 |
Isomeric SMILE | CN1CCC2=CC3=C(C4=C2[C@@H]1CC45C=CC(=O)C=C5)OCO3 |
Drugpedia | wiki |
References | 1. Slavik,Collect.Czech.Chem.Commun.,55,(1990),1812 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3085 |
Name | Rhoeadine |
Pubchem ID | 197775 |
KEGG ID | C09619 |
Source | Papaver albiflorum |
Type | Natural |
Function | Cytotoxic |
Drug Like Properties | Yes |
Molecular Weight | 383.39 |
Exact mass | 383.136887 |
Molecular formula | C21H21NO6 |
XlogP | 2.4 |
Topological Polar Surface Area | 58.6 |
H-Bond Donor | 0 |
H-Bond Acceptor | 7 |
Rotational Bond Count | 1 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3 |
Isomeric SMILE | CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3 |
Drugpedia | wiki |
References | 1. Slavik,Collect.Czech.Chem.Commun.,55,(1990),1812 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3095 |
Name | Rhoeadine |
Pubchem ID | 197775 |
KEGG ID | C09619 |
Source | Papaver albiflorum |
Type | Natural |
Function | Sedative |
Drug Like Properties | Yes |
Molecular Weight | 383.39 |
Exact mass | 383.136887 |
Molecular formula | C21H21NO6 |
XlogP | 2.4 |
Topological Polar Surface Area | 58.6 |
H-Bond Donor | 0 |
H-Bond Acceptor | 7 |
Rotational Bond Count | 1 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3 |
Isomeric SMILE | CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3 |
Drugpedia | wiki |
References | 1. Slavik,Collect.Czech.Chem.Commun.,55,(1990),1812 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3246 |
Name | (S)-Scoulerine |
Pubchem ID | 439654 |
KEGG ID | C02106 |
Source | Papaver albiflorum |
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. Source 2. Function 3. All Records |
ID | 3414 |
Name | Thebaine |
Pubchem ID | 5324289 |
KEGG ID | C06173 |
Source | Papaver albiflorum |
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. Slavik,Collect.Czech.Chem.Commun.,55,(1990),1812 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |