ID | 1609 |
Name | Bracteoline |
Pubchem ID | 133322 |
KEGG ID | C09366 |
Source | Papaver bracteatum |
Type | Natural |
Function | Suppress LPS-induced proliferation |
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)O)OC)O)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)O)OC)O)OC |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
ID | 2459 |
Name | Isothebaine |
Pubchem ID | 11281 |
KEGG ID | C09550 |
Source | Papaver bracteatum |
Type | Natural |
Function | Analgesic |
Drug Like Properties | Yes |
Molecular Weight | 311.37 |
Exact mass | 311.152144 |
Molecular formula | C19H21NO3 |
XlogP | 2.6 |
Topological Polar Surface Area | 41.9 |
H-Bond Donor | 1 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=CC=C4)OC)O)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=CC=C4)OC)O)OC |
Drugpedia | wiki |
References | 1. Sariyar,Planta Med.,58,(1992),368 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2463 |
Name | Isothebaine |
Pubchem ID | 11281 |
KEGG ID | C09550 |
Source | Papaver bracteatum |
Type | Natural |
Function | Anti-inflammatory |
Drug Like Properties | Yes |
Molecular Weight | 311.37 |
Exact mass | 311.152144 |
Molecular formula | C19H21NO3 |
XlogP | 2.6 |
Topological Polar Surface Area | 41.9 |
H-Bond Donor | 1 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=CC=C4)OC)O)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=CC=C4)OC)O)OC |
Drugpedia | wiki |
References | 1. Sariyar,Planta Med.,58,(1992),368 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2764 |
Name | Neopine |
Pubchem ID | 101685 |
KEGG ID | N/A |
Source | Papaver bracteatum |
Type | Natural |
Function | Unknown |
Drug Like Properties | Yes |
Molecular Weight | 299.36 |
Exact mass | 299.152144 |
Molecular formula | C18H21NO3 |
XlogP | 1.6 |
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 | CN1CCC23C4C(CC=C2C1CC5=C3C(=C(C=C5)OC)O4)O |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 3123 |
Name | Salutaridine |
Pubchem ID | 5408233 |
KEGG ID | C05179 |
Source | Papaver bracteatum |
Type | Natural |
Function | Anticancer |
Drug Like Properties | Yes |
Molecular Weight | 327.37 |
Exact mass | 327.147058 |
Molecular formula | C19H21NO4 |
XlogP | 1.9 |
Topological Polar Surface Area | 59 |
H-Bond Donor | 1 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC23C=C(C(=O)C=C2C1CC4=C3C(=C(C=C4)OC)O)OC |
Isomeric SMILE | CN1CC[C@]23C=C(C(=O)C=C2[C@H]1CC4=C3C(=C(C=C4)OC)O)OC |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
ID | 3415 |
Name | Thebaine |
Pubchem ID | 5324289 |
KEGG ID | C06173 |
Source | Papaver bracteatum |
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. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |