ID | 1132 |
Name | Allocryptopine |
Pubchem ID | 98570 |
KEGG ID | C02134 |
Source | Papaver rhoeas chelidonides |
Type | Natural |
Function | Oxytocic agent |
Drug Like Properties | Yes |
Molecular Weight | 369.41 |
Exact mass | 369.157623 |
Molecular formula | C21H23NO5 |
XlogP | 2.9 |
Topological Polar Surface Area | 57.2 |
H-Bond Donor | 0 |
H-Bond Acceptor | 6 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3 |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),118 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 1363 |
Name | Berberine |
Pubchem ID | 2353 |
KEGG ID | D06817 |
Source | Papaver rhoeas chelidonides |
Type | Natural |
Function | Antiparasitic |
Drug Like Properties | Yes |
Molecular Weight | 336.36 |
Exact mass | 336.123583 |
Molecular formula | C20H18NO4+ |
XlogP | 3.6 |
Topological Polar Surface Area | 40.8 |
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 | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 1467 |
Name | Berberine |
Pubchem ID | 2353 |
KEGG ID | D06817 |
Source | Papaver rhoeas chelidonides |
Type | Natural |
Function | Antidiarrheal |
Drug Like Properties | Yes |
Molecular Weight | 336.36 |
Exact mass | 336.123583 |
Molecular formula | C20H18NO4+ |
XlogP | 3.6 |
Topological Polar Surface Area | 40.8 |
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 | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |