ID | 1120 |
Name | Allocryptopine |
Pubchem ID | 98570 |
KEGG ID | C02134 |
Source | Corydalis solida |
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. Sener,J.Chem.Soc.Pak.,13,(1991),63 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 1353 |
Name | Berberine |
Pubchem ID | 2353 |
KEGG ID | D06817 |
Source | Corydalis solida |
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 | 1405 |
Name | Berberine |
Pubchem ID | 2353 |
KEGG ID | D06817 |
Source | Corydalis solida |
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 | 1457 |
Name | Berberine |
Pubchem ID | 2353 |
KEGG ID | D06817 |
Source | Corydalis solida |
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 | 1531 |
Name | Bicuculline |
Pubchem ID | 10237 |
KEGG ID | C09364 |
Source | Corydalis solida |
Type | Natural |
Function | GABA-A antagonist |
Drug Like Properties | Yes |
Molecular Weight | 367.35 |
Exact mass | 367.105587 |
Molecular formula | C20H17NO6 |
XlogP | 2.6 |
Topological Polar Surface Area | 66.5 |
H-Bond Donor | 0 |
H-Bond Acceptor | 7 |
Rotational Bond Count | 1 |
IUPAC Name | (6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3 |
Isomeric SMILE | CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3 |
Drugpedia | wiki |
References | 1. Sener,J.Chem.Soc.Pak.,13,(1991),63 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 1548 |
Name | Bicuculline |
Pubchem ID | 10237 |
KEGG ID | C09364 |
Source | Corydalis solida |
Type | Natural |
Function | Convulsions |
Drug Like Properties | Yes |
Molecular Weight | 367.35 |
Exact mass | 367.105587 |
Molecular formula | C20H17NO6 |
XlogP | 2.6 |
Topological Polar Surface Area | 66.5 |
H-Bond Donor | 0 |
H-Bond Acceptor | 7 |
Rotational Bond Count | 1 |
IUPAC Name | (6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3 |
Isomeric SMILE | CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3 |
Drugpedia | wiki |
References | 1. Sener,J.Chem.Soc.Pak.,13,(1991),63 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 1631 |
Name | Bulbocapnine |
Pubchem ID | 12441 |
KEGG ID | C09367 |
Source | Corydalis solida |
Type | Natural |
Function | Dopamine Antagonist |
Drug Like Properties | Yes |
Molecular Weight | 325.36 |
Exact mass | 325.131408 |
Molecular formula | C19H19NO4 |
XlogP | 2.9 |
Topological Polar Surface Area | 51.2 |
H-Bond Donor | 1 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 1 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC3=C(C4=C2C1CC5=C4C(=C(C=C5)OC)O)OCO3 |
Isomeric SMILE | CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=C4C(=C(C=C5)OC)O)OCO3 |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
ID | 1943 |
Name | Corpaine |
Pubchem ID | 442197 |
KEGG ID | C09393 |
Source | Corydalis solida |
Type | Natural |
Function | Antiprotozoal |
Drug Like Properties | Yes |
Molecular Weight | 369.37 |
Exact mass | 369.121237 |
Molecular formula | C20H19NO6 |
XlogP | 1.7 |
Topological Polar Surface Area | 88.5 |
H-Bond Donor | 2 |
H-Bond Acceptor | 7 |
Rotational Bond Count | 1 |
IUPAC Name | (1S,8'S)-7,8'-dihydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6'-one |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C=C2C13C(C4=C(C3=O)C=CC5=C4OCO5)O)O)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C=C2[C@@]13[C@H](C4=C(C3=O)C=CC5=C4OCO5)O)O)OC |
Drugpedia | wiki |
References | 1. Sener,J.Chem.Soc.Pak.,13,(1991),63 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 1948 |
Name | Corydaline |
Pubchem ID | 101301 |
KEGG ID | C15530 |
Source | Corydalis solida |
Type | Natural |
Function | Acetylcholinesterase inhibitor |
Drug Like Properties | Yes |
Molecular Weight | 369.45 |
Exact mass | 369.194008 |
Molecular formula | C22H27NO4 |
XlogP | 3.6 |
Topological Polar Surface Area | 40.2 |
H-Bond Donor | 0 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 4 |
IUPAC Name | (13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)OC |
Isomeric SMILE | C[C@@H]1[C@@H]2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)OC |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 2281 |
Name | Hydrastine |
Pubchem ID | 442247 |
KEGG ID | C09462 |
Source | Corydalis solida |
Type | Natural |
Function | Haemostatic |
Drug Like Properties | Yes |
Molecular Weight | 383.39 |
Exact mass | 383.136887 |
Molecular formula | C21H21NO6 |
XlogP | 2.7 |
Topological Polar Surface Area | 66.5 |
H-Bond Donor | 0 |
H-Bond Acceptor | 7 |
Rotational Bond Count | 3 |
IUPAC Name | (3R)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC3=C(C=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3 |
Isomeric SMILE | CN1CCC2=CC3=C(C=C2[C@@H]1[C@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3 |
Drugpedia | wiki |
References | 1. Sener,J.Chem.Soc.Pak.,13,(1991),63 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2284 |
Name | Hydrastine |
Pubchem ID | 442247 |
KEGG ID | C09462 |
Source | Corydalis solida |
Type | Natural |
Function | Antiseptic |
Drug Like Properties | Yes |
Molecular Weight | 383.39 |
Exact mass | 383.136887 |
Molecular formula | C21H21NO6 |
XlogP | 2.7 |
Topological Polar Surface Area | 66.5 |
H-Bond Donor | 0 |
H-Bond Acceptor | 7 |
Rotational Bond Count | 3 |
IUPAC Name | (3R)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC3=C(C=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3 |
Isomeric SMILE | CN1CCC2=CC3=C(C=C2[C@@H]1[C@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3 |
Drugpedia | wiki |
References | 1. Sener,J.Chem.Soc.Pak.,13,(1991),63 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2320 |
Name | Isocorydine |
Pubchem ID | 10143 |
KEGG ID | C09549 |
Source | Corydalis solida |
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. Ribar,Bull.Acad.Serbe Sci.Arts.Cl.Sci.Math.Nat.Sci.Nat.,40,(2003),95 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2367 |
Name | Isocorydine |
Pubchem ID | 10143 |
KEGG ID | C09549 |
Source | Corydalis solida |
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. Ribar,Bull.Acad.Serbe Sci.Arts.Cl.Sci.Math.Nat.Sci.Nat.,40,(2003),95 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2428 |
Name | Isoteolin |
Pubchem ID | 133323 |
KEGG ID | C09541 |
Source | Corydalis solida |
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. Sener,J.Chem.Soc.Pak.,13,(1991),63 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2986 |
Name | Protopine |
Pubchem ID | 4970 |
KEGG ID | C05189 |
Source | Corydalis solida |
Type | Natural |
Function | Antibacterial |
Drug Like Properties | Yes |
Molecular Weight | 353.37 |
Exact mass | 353.126323 |
Molecular formula | C20H19NO5 |
XlogP | 2.8 |
Topological Polar Surface Area | 57.2 |
H-Bond Donor | 0 |
H-Bond Acceptor | 6 |
Rotational Bond Count | 0 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3 |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Sener,J.Chem.Soc.Pak.,13,(1991),63 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3236 |
Name | (S)-Scoulerine |
Pubchem ID | 439654 |
KEGG ID | C02106 |
Source | Corydalis solida |
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. Sener,J.Chem.Soc.Pak.,13,(1991),63 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |