ID | 1133 |
Name | Allocryptopine |
Pubchem ID | 98570 |
KEGG ID | C02134 |
Source | Stylophorum lasiocarpum |
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.,56,(1991),1116 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 1369 |
Name | Berberine |
Pubchem ID | 2353 |
KEGG ID | D06817 |
Source | Stylophorum lasiocarpum |
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 | 1421 |
Name | Berberine |
Pubchem ID | 2353 |
KEGG ID | D06817 |
Source | Stylophorum lasiocarpum |
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 | 1473 |
Name | Berberine |
Pubchem ID | 2353 |
KEGG ID | D06817 |
Source | Stylophorum lasiocarpum |
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 | 1739 |
Name | Chelirubine |
Pubchem ID | 161243 |
KEGG ID | C06327 |
Source | Stylophorum lasiocarpum |
Type | Natural |
Function | Nematocidal |
Drug Like Properties | Yes |
Molecular Weight | 362.36 |
Exact mass | 362.102848 |
Molecular formula | C21H16NO5+ |
XlogP | 4.4 |
Topological Polar Surface Area | 50 |
H-Bond Donor | 0 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 1 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | C[N+]1=CC2=C3C(=CC(=C2C4=C1C5=CC6=C(C=C5C=C4)OCO6)OC)OCO3 |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Slavik,Collect.Czech.Chem.Commun.,56,(1991),1116 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2456 |
Name | Isoteolin |
Pubchem ID | 133323 |
KEGG ID | C09541 |
Source | Stylophorum lasiocarpum |
Type | Natural |
Function | Insect feeding inhibitor |
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)OC)O)O)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)O)OC |
Drugpedia | wiki |
References | 1. Slavik,Collect.Czech.Chem.Commun.,56,(1991),1116 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2574 |
Name | Macarpine |
Pubchem ID | 440929 |
KEGG ID | C06165 |
Source | Stylophorum lasiocarpum |
Type | Natural |
Function | Unknown |
Drug Like Properties | Yes |
Molecular Weight | 392.38 |
Exact mass | 392.113412 |
Molecular formula | C22H18NO6+ |
XlogP | 4.4 |
Topological Polar Surface Area | 59.3 |
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 | C[N+]1=CC2=C3C(=CC(=C2C4=C1C5=CC6=C(C=C5C(=C4)OC)OCO6)OC)OCO3 |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Slavik,Collect.Czech.Chem.Commun.,56,(1991),1116 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2608 |
Name | Magnoflorine |
Pubchem ID | 73337 |
KEGG ID | C09581 |
Source | Stylophorum lasiocarpum |
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.,56,(1991),1116 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2656 |
Name | Magnoflorine |
Pubchem ID | 73337 |
KEGG ID | C09581 |
Source | Stylophorum lasiocarpum |
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.,56,(1991),1116 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3143 |
Name | Sanguinarine |
Pubchem ID | 5154 |
KEGG ID | C06162 |
Source | Stylophorum lasiocarpum |
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. Slavik,Collect.Czech.Chem.Commun.,56,(1991),1116 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3157 |
Name | Sanguinarine |
Pubchem ID | 5154 |
KEGG ID | C06162 |
Source | Stylophorum lasiocarpum |
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. Slavik,Collect.Czech.Chem.Commun.,56,(1991),1116 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3171 |
Name | Sanguinarine |
Pubchem ID | 5154 |
KEGG ID | C06162 |
Source | Stylophorum lasiocarpum |
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. Slavik,Collect.Czech.Chem.Commun.,56,(1991),1116 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3185 |
Name | Sanguinarine |
Pubchem ID | 5154 |
KEGG ID | C06162 |
Source | Stylophorum lasiocarpum |
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. Slavik,Collect.Czech.Chem.Commun.,56,(1991),1116 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3259 |
Name | (S)-Scoulerine |
Pubchem ID | 439654 |
KEGG ID | C02106 |
Source | Stylophorum lasiocarpum |
Type | Natural |
Function | Unknown |
Drug Like Properties | Yes |
Molecular Weight | 327.37 |
Exact mass | 327.147058 |
Molecular formula | C19H21NO4 |
XlogP | 2.6 |
Topological Polar Surface Area | 62.2 |
H-Bond Donor | 2 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 2 |
IUPAC Name | (13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O |
Isomeric SMILE | COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O |
Drugpedia | wiki |
References | 1. Slavik,Collect.Czech.Chem.Commun.,56,(1991),1116 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3302 |
Name | Stylopine |
Pubchem ID | 440583 |
KEGG ID | C05175 |
Source | Stylophorum lasiocarpum |
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. Slavik,Collect.Czech.Chem.Commun.,56,(1991),1116 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |