ID | 1522 |
Name | Bicuculline |
Pubchem ID | 10237 |
KEGG ID | C09364 |
Source | Corydalis esquirolii |
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. Li,Zhongcayao,22,(1991),486 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 1539 |
Name | Bicuculline |
Pubchem ID | 10237 |
KEGG ID | C09364 |
Source | Corydalis esquirolii |
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. Li,Zhongcayao,22,(1991),486 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2403 |
Name | Isocorypalmine |
Pubchem ID | 440229 |
KEGG ID | C04118 |
Source | Corydalis esquirolii |
Type | Natural |
Function | Smooth muscle relaxant |
Drug Like Properties | Yes |
Molecular Weight | 341.40 |
Exact mass | 341.162708 |
Molecular formula | C20H23NO4 |
XlogP | 2.9 |
Topological Polar Surface Area | 51.2 |
H-Bond Donor | 1 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 3 |
IUPAC Name | (13aS)-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC |
Isomeric SMILE | COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC |
Drugpedia | wiki |
References | 1. Li,Zhongcayao,22,(1991),486 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2978 |
Name | Protopine |
Pubchem ID | 4970 |
KEGG ID | C05189 |
Source | Corydalis esquirolii |
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. Li,Zhongcayao,22,(1991),486 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |