ID | 1091 |
Name | Adiantifoline |
Pubchem ID | 167937 |
KEGG ID | C09323 |
Source | Thalictrum minus |
Type | Natural |
Function | Hypotensive |
Drug Like Properties | No |
Molecular Weight | 726.85 |
Exact mass | 726.351631 |
Molecular formula | C42H50N2O9 |
XlogP | 6.6 |
Topological Polar Surface Area | 89.6 |
H-Bond Donor | 0 |
H-Bond Acceptor | 11 |
Rotational Bond Count | 12 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=C(C(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC)OC |
Isomeric SMILE | CN1CCC2=C(C(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC)OC |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 1204 |
Name | (-)-Argemonine |
Pubchem ID | 442168 |
KEGG ID | C09341 |
Source | Thalictrum minus |
Type | Natural |
Function | Antiarrhythmic |
Drug Like Properties | Yes |
Molecular Weight | 355.43 |
Exact mass | 355.178358 |
Molecular formula | C21H25NO4 |
XlogP | 3.3 |
Topological Polar Surface Area | 40.2 |
H-Bond Donor | 0 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 4 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1C2CC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)OC)OC)OC)OC |
Isomeric SMILE | CN1[C@H]2CC3=CC(=C(C=C3[C@@H]1CC4=CC(=C(C=C24)OC)OC)OC)OC |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
ID | 1373 |
Name | Berberine |
Pubchem ID | 2353 |
KEGG ID | D06817 |
Source | Thalictrum minus |
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 | 1425 |
Name | Berberine |
Pubchem ID | 2353 |
KEGG ID | D06817 |
Source | Thalictrum minus |
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 | 1477 |
Name | Berberine |
Pubchem ID | 2353 |
KEGG ID | D06817 |
Source | Thalictrum minus |
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 | 1924 |
Name | Columbamine |
Pubchem ID | 72310 |
KEGG ID | C01795 |
Source | Thalictrum minus |
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 | 1925 |
Name | Columbamine |
Pubchem ID | 72310 |
KEGG ID | C01795 |
Source | Thalictrum minus |
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 | 2487 |
Name | Jatrorrhizine |
Pubchem ID | 72323 |
KEGG ID | C09553 |
Source | Thalictrum minus |
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. Slavik,Collect.Czech.Chem.Commun.,57,(1992),573 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2612 |
Name | Magnoflorine |
Pubchem ID | 73337 |
KEGG ID | C09581 |
Source | Thalictrum minus |
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.,57,(1992),573 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2660 |
Name | Magnoflorine |
Pubchem ID | 73337 |
KEGG ID | C09581 |
Source | Thalictrum minus |
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.,57,(1992),573 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2850 |
Name | OBABERINE |
Pubchem ID | 100231 |
KEGG ID | C09596 |
Source | Thalictrum minus |
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. Kirimer,Planta Med.,57,(1991),587 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3388 |
Name | Thalicberine |
Pubchem ID | 5321904 |
KEGG ID | N/A |
Source | Thalictrum minus |
Type | Natural |
Function | Unknown |
Drug Like Properties | No |
Molecular Weight | 606.75 |
Exact mass | 606.309372 |
Molecular formula | C38H42N2O5 |
XlogP | 6.7 |
Topological Polar Surface Area | 63.6 |
H-Bond Donor | 1 |
H-Bond Acceptor | 7 |
Rotational Bond Count | 3 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC3=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(C3)C(=C(C=C7CCN6C)OC)OC)O)OC |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 3411 |
Name | Thalmidine |
Pubchem ID | 100230 |
KEGG ID | C09590 |
Source | Thalictrum minus |
Type | Natural |
Function | Anti-inflammatory |
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=CC3=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC |
Isomeric SMILE | CN1CCC2=CC3=C(C=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)OC)OC |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
ID | 3501 |
Name | Xylopinine |
Pubchem ID | 226520 |
KEGG ID | C09671 |
Source | Thalictrum minus |
Type | Natural |
Function | Adrenergic alpha-blocker |
Drug Like Properties | Yes |
Molecular Weight | 355.43 |
Exact mass | 355.178358 |
Molecular formula | C21H25NO4 |
XlogP | 3.2 |
Topological Polar Surface Area | 40.2 |
H-Bond Donor | 0 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 4 |
IUPAC Name | (13aS)-2,3,10,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)OC)OC)OC |
Isomeric SMILE | COC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)OC)OC)OC |
Drugpedia | wiki |
References | 1. Lou,Planta Med.,58,(1992),114 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |