| 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 | 2285 |
| Name | Hydrastine |
| Pubchem ID | 442247 |
| KEGG ID | C09462 |
| Source | Fumaria parviflora |
| 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. Sousek,Phytochem.Anal.,10,(1999),6 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
| ID | 2286 |
| Name | Hydrastine |
| Pubchem ID | 442247 |
| KEGG ID | C09462 |
| Source | Hydrastis canadensis |
| 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. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |