ID | 1686 |
Name | Capaurine |
Pubchem ID | 94149 |
KEGG ID | C09371 |
Source | Stephania lincangensis |
Type | Natural |
Function | Uterine stimulant |
Drug Like Properties | Yes |
Molecular Weight | 371.43 |
Exact mass | 371.173273 |
Molecular formula | C21H25NO5 |
XlogP | 2.9 |
Topological Polar Surface Area | 60.4 |
H-Bond Donor | 1 |
H-Bond Acceptor | 6 |
Rotational Bond Count | 4 |
IUPAC Name | (13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-1-ol |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C(C2=C(CC3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)OC |
Isomeric SMILE | COC1=C(C2=C(C[C@H]3C4=C(C(=C(C=C4CCN3C2)OC)OC)O)C=C1)OC |
Drugpedia | wiki |
References | 1. Fang,Zhiwu Xuebao,33,(1991),552 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2348 |
Name | Isocorydine |
Pubchem ID | 10143 |
KEGG ID | C09549 |
Source | Stephania lincangensis |
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. Fang,Zhiwu Xuebao,33,(1991),552 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2395 |
Name | Isocorydine |
Pubchem ID | 10143 |
KEGG ID | C09549 |
Source | Stephania lincangensis |
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. Fang,Zhiwu Xuebao,33,(1991),552 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |