ID | 1281 |
Name | Berbamine |
Pubchem ID | 275182 |
KEGG ID | C09357 |
Source | Berberis vulgaris |
Type | Natural |
Function | Antibiotic |
Drug Like Properties | No |
Molecular Weight | 608.72 |
Exact mass | 608.288637 |
Molecular formula | C37H40N2O6 |
XlogP | 6.1 |
Topological Polar Surface Area | 72.9 |
H-Bond Donor | 1 |
H-Bond Acceptor | 8 |
Rotational Bond Count | 3 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC |
Isomeric SMILE | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)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 | 1298 |
Name | Berbamine |
Pubchem ID | 275182 |
KEGG ID | C09357 |
Source | Berberis vulgaris |
Type | Natural |
Function | Anticancer |
Drug Like Properties | No |
Molecular Weight | 608.72 |
Exact mass | 608.288637 |
Molecular formula | C37H40N2O6 |
XlogP | 6.1 |
Topological Polar Surface Area | 72.9 |
H-Bond Donor | 1 |
H-Bond Acceptor | 8 |
Rotational Bond Count | 3 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC |
Isomeric SMILE | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)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 | 1315 |
Name | Berbamine |
Pubchem ID | 275182 |
KEGG ID | C09357 |
Source | Berberis vulgaris |
Type | Natural |
Function | Vasodilator |
Drug Like Properties | No |
Molecular Weight | 608.72 |
Exact mass | 608.288637 |
Molecular formula | C37H40N2O6 |
XlogP | 6.1 |
Topological Polar Surface Area | 72.9 |
H-Bond Donor | 1 |
H-Bond Acceptor | 8 |
Rotational Bond Count | 3 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC |
Isomeric SMILE | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)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 | 1345 |
Name | Berberine |
Pubchem ID | 2353 |
KEGG ID | D06817 |
Source | Berberis vulgaris |
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 | 1397 |
Name | Berberine |
Pubchem ID | 2353 |
KEGG ID | D06817 |
Source | Berberis vulgaris |
Type | Natural |
Function | Antifungal |
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 | 1449 |
Name | Berberine |
Pubchem ID | 2353 |
KEGG ID | D06817 |
Source | Berberis vulgaris |
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 |
ID | 1906 |
Name | Columbamine |
Pubchem ID | 72310 |
KEGG ID | C01795 |
Source | Berberis vulgaris |
Type | Natural |
Function | Dopamine Agonist |
Drug Like Properties | Yes |
Molecular Weight | 338.38 |
Exact mass | 338.139233 |
Molecular formula | C20H20NO4+ |
XlogP | 3.4 |
Topological Polar Surface Area | 51.8 |
H-Bond Donor | 1 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 3 |
IUPAC Name | 3,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)O)OC |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 2316 |
Name | Isocorydine |
Pubchem ID | 10143 |
KEGG ID | C09549 |
Source | Berberis vulgaris |
Type | Natural |
Function | Calcium channel blocker |
Drug Like Properties | Yes |
Molecular Weight | 341.40 |
Exact mass | 341.162708 |
Molecular formula | C20H23NO4 |
XlogP | 2.6 |
Topological Polar Surface Area | 51.2 |
H-Bond Donor | 1 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 3 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC |
Drugpedia | wiki |
References | 1. Slavik,Collect.Czech.Chem.Commun.,60,(1995),1034 2. Yusupov,Khim.Prir.Soedin.,(1993),44 3. Khamidov,Khim.Prir.Soedin.,(1995),503 4. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 5. Source 6. Function 7. All Records |
ID | 2363 |
Name | Isocorydine |
Pubchem ID | 10143 |
KEGG ID | C09549 |
Source | Berberis vulgaris |
Type | Natural |
Function | Sedative |
Drug Like Properties | Yes |
Molecular Weight | 341.40 |
Exact mass | 341.162708 |
Molecular formula | C20H23NO4 |
XlogP | 2.6 |
Topological Polar Surface Area | 51.2 |
H-Bond Donor | 1 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 3 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC |
Drugpedia | wiki |
References | 1. Slavik,Collect.Czech.Chem.Commun.,60,(1995),1034 2. Yusupov,Khim.Prir.Soedin.,(1993),44 3. Khamidov,Khim.Prir.Soedin.,(1995),503 4. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 5. Source 6. Function 7. All Records |
ID | 2478 |
Name | Jatrorrhizine |
Pubchem ID | 72323 |
KEGG ID | C09553 |
Source | Berberis vulgaris |
Type | Natural |
Function | Antifungal |
Drug Like Properties | Yes |
Molecular Weight | 338.38 |
Exact mass | 338.139233 |
Molecular formula | C20H20NO4+ |
XlogP | 3.4 |
Topological Polar Surface Area | 51.8 |
H-Bond Donor | 1 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 3 |
IUPAC Name | 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Suau,Phytochem.,49,(1998),2545 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2588 |
Name | Magnoflorine |
Pubchem ID | 73337 |
KEGG ID | C09581 |
Source | Berberis vulgaris |
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. Slavik,Collect.Czech.Chem.Commun.,60,(1995),1034 2. Yusupov,Khim.Prir.Soedin.,(1993),44 3. Khamidov,Khim.Prir.Soedin.,(1995),503 4. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 5. Source 6. Function 7. All Records |
ID | 2636 |
Name | Magnoflorine |
Pubchem ID | 73337 |
KEGG ID | C09581 |
Source | Berberis vulgaris |
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. Slavik,Collect.Czech.Chem.Commun.,60,(1995),1034 2. Yusupov,Khim.Prir.Soedin.,(1993),44 3. Khamidov,Khim.Prir.Soedin.,(1995),503 4. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 5. Source 6. Function 7. All Records |
ID | 2845 |
Name | OBABERINE |
Pubchem ID | 100231 |
KEGG ID | C09596 |
Source | Berberis vulgaris |
Type | Natural |
Function | Antitrypanosomal |
Drug Like Properties | No |
Molecular Weight | 622.75 |
Exact mass | 622.304287 |
Molecular formula | C38H42N2O6 |
XlogP | 6.7 |
Topological Polar Surface Area | 61.9 |
H-Bond Donor | 0 |
H-Bond Acceptor | 8 |
Rotational Bond Count | 4 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)OC)OC)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6C)OC)O3)OC)OC)OC |
Drugpedia | wiki |
References | 1. Suau,Phytochem.,49,(1998),2545 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |