ID | 2277 |
Name | Homochelidonine |
Pubchem ID | 164609 |
KEGG ID | C12257 |
Source | Chelidonium majus |
Type | Natural |
Function | Unknown |
Drug Like Properties | Yes |
Molecular Weight | 369.41 |
Exact mass | 369.157623 |
Molecular formula | C21H23NO5 |
XlogP | 2.3 |
Topological Polar Surface Area | 60.4 |
H-Bond Donor | 1 |
H-Bond Acceptor | 6 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CC2=C(C=CC(=C2OC)OC)C3C1C4=CC5=C(C=C4CC3O)OCO5 |
Isomeric SMILE | CN1CC2=C(C=CC(=C2OC)OC)[C@@H]3[C@H]1C4=CC5=C(C=C4C[C@@H]3O)OCO5 |
Drugpedia | wiki |
References | 1. Lee,J.Chin.Chem.Soc.,38,(1991),389 2. Buzuk,Farmatisiya,40,(1991),37 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records |
ID | 3131 |
Name | Sanguinarine |
Pubchem ID | 5154 |
KEGG ID | C06162 |
Source | Chelidonium majus |
Type | Natural |
Function | Anti-inflammatory |
Drug Like Properties | Yes |
Molecular Weight | 332.33 |
Exact mass | 332.092283 |
Molecular formula | C20H14NO4+ |
XlogP | 4.4 |
Topological Polar Surface Area | 40.8 |
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 | C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6 |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
ID | 3145 |
Name | Sanguinarine |
Pubchem ID | 5154 |
KEGG ID | C06162 |
Source | Chelidonium majus |
Type | Natural |
Function | Glutamate decarboxylase inhibitor |
Drug Like Properties | Yes |
Molecular Weight | 332.33 |
Exact mass | 332.092283 |
Molecular formula | C20H14NO4+ |
XlogP | 4.4 |
Topological Polar Surface Area | 40.8 |
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 | C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6 |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
ID | 3159 |
Name | Sanguinarine |
Pubchem ID | 5154 |
KEGG ID | C06162 |
Source | Chelidonium majus |
Type | Natural |
Function | Antibacterial |
Drug Like Properties | Yes |
Molecular Weight | 332.33 |
Exact mass | 332.092283 |
Molecular formula | C20H14NO4+ |
XlogP | 4.4 |
Topological Polar Surface Area | 40.8 |
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 | C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6 |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
ID | 3173 |
Name | Sanguinarine |
Pubchem ID | 5154 |
KEGG ID | C06162 |
Source | Chelidonium majus |
Type | Natural |
Function | Cytotoxic |
Drug Like Properties | Yes |
Molecular Weight | 332.33 |
Exact mass | 332.092283 |
Molecular formula | C20H14NO4+ |
XlogP | 4.4 |
Topological Polar Surface Area | 40.8 |
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 | C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6 |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
ID | 3271 |
Name | Stylopine |
Pubchem ID | 440583 |
KEGG ID | C05175 |
Source | Chelidonium majus |
Type | Natural |
Function | Unknown |
Drug Like Properties | Yes |
Molecular Weight | 323.34 |
Exact mass | 323.115758 |
Molecular formula | C19H17NO4 |
XlogP | 3 |
Topological Polar Surface Area | 40.2 |
H-Bond Donor | 0 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 0 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | C1CN2CC3=C(CC2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6 |
Isomeric SMILE | C1CN2CC3=C(C[C@H]2C4=CC5=C(C=C41)OCO5)C=CC6=C3OCO6 |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 3457 |
Name | Ukrain |
Pubchem ID | 160027 |
KEGG ID | N/A |
Source | Chelidonium majus |
Type | Unknown |
Function | Anticancer |
Drug Like Properties | No |
Molecular Weight | 1303.37 |
Exact mass | 1302.459617 |
Molecular formula | C66H75N6O18PS |
XlogP | N/A |
Topological Polar Surface Area | 211 |
H-Bond Donor | 9 |
H-Bond Acceptor | 21 |
Rotational Bond Count | 12 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | C[N+]1(CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)C1C7C2=CC3=C(C=C2CC1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)C2C1C1=CC3=C(C=C1CC2O)OCO3)C.[OH-].[OH-].[OH-] |
Isomeric SMILE | C[N+]1(CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)[C@@H]1[C@H]7C2=CC3=C(C=C2C[C@@H]1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)[C@@H]2[C@H]1C1=CC3=C(C=C1C[C@@H]2O)OCO3)C.[OH-].[OH-].[OH-] |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 3458 |
Name | Ukrain |
Pubchem ID | 160028 |
KEGG ID | N/A |
Source | Chelidonium majus |
Type | Natural |
Function | Anticancer |
Drug Like Properties | No |
Molecular Weight | 1252.35 |
Exact mass | 1251.451398 |
Molecular formula | C66H72N6O15PS+3 |
XlogP | 6.2 |
Topological Polar Surface Area | 208 |
H-Bond Donor | 6 |
H-Bond Acceptor | 18 |
Rotational Bond Count | 12 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | C[N+]1(CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)C1C7C2=CC3=C(C=C2CC1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)C2C1C1=CC3=C(C=C1CC2O)OCO3)C |
Isomeric SMILE | C[N+]1(CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)[C@@H]1[C@H]7C2=CC3=C(C=C2C[C@@H]1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)[C@@H]2[C@H]1C1=CC3=C(C=C1C[C@@H]2O)OCO3)C |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 3459 |
Name | Ukrain |
Pubchem ID | 160028 |
KEGG ID | N/A |
Source | Chelidonium majus |
Type | Natural |
Function | Cytotoxic |
Drug Like Properties | No |
Molecular Weight | 1252.35 |
Exact mass | 1251.451398 |
Molecular formula | C66H72N6O15PS+3 |
XlogP | 6.2 |
Topological Polar Surface Area | 208 |
H-Bond Donor | 6 |
H-Bond Acceptor | 18 |
Rotational Bond Count | 12 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | C[N+]1(CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)C1C7C2=CC3=C(C=C2CC1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)C2C1C1=CC3=C(C=C1CC2O)OCO3)C |
Isomeric SMILE | C[N+]1(CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)[C@@H]1[C@H]7C2=CC3=C(C=C2C[C@@H]1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)[C@@H]2[C@H]1C1=CC3=C(C=C1C[C@@H]2O)OCO3)C |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 3460 |
Name | Ukrain |
Pubchem ID | 6918247 |
KEGG ID | N/A |
Source | Chelidonium majus |
Type | Natural |
Function | Unknown |
Drug Like Properties | No |
Molecular Weight | 1522.14 |
Exact mass | 1520.316733 |
Molecular formula | C66H81Cl6N6O18PS |
XlogP | N/A |
Topological Polar Surface Area | 211 |
H-Bond Donor | 15 |
H-Bond Acceptor | 21 |
Rotational Bond Count | 12 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | C[N+]1(CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)C1C7C2=CC3=C(C=C2CC1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)C2C1C1=CC3=C(C=C1CC2O)OCO3)C.[OH-].[OH-].[OH-].Cl.Cl.Cl.Cl.Cl.Cl |
Isomeric SMILE | C[N+]1(CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)[C@@H]1[C@H]7C2=CC3=C(C=C2C[C@@H]1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)[C@@H]2[C@H]1C1=CC3=C(C=C1C[C@@H]2O)OCO3)C.[OH-].[OH-].[OH-].Cl.Cl.Cl.Cl.Cl.Cl |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |