ID | 1230 |
Name | Asimilobine-2-O-glucoside |
Pubchem ID | 158546 |
KEGG ID | N/A |
Source | Stephania pierrei |
Type | Natural |
Function | Cytotoxic |
Drug Like Properties | Yes |
Molecular Weight | 429.46 |
Exact mass | 429.178752 |
Molecular formula | C23H27NO7 |
XlogP | 0.8 |
Topological Polar Surface Area | 121 |
H-Bond Donor | 5 |
H-Bond Acceptor | 8 |
Rotational Bond Count | 4 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C(C=C2CCNC3C2=C1C4=CC=CC=C4C3)OC5C(C(C(C(O5)CO)O)O)O |
Isomeric SMILE | COC1=C(C=C2CCN[C@H]3C2=C1C4=CC=CC=C4C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 1231 |
Name | Asimilobine-2-O-glucoside |
Pubchem ID | 158546 |
KEGG ID | N/A |
Source | Stephania pierrei |
Type | Natural |
Function | Antimalarial |
Drug Like Properties | Yes |
Molecular Weight | 429.46 |
Exact mass | 429.178752 |
Molecular formula | C23H27NO7 |
XlogP | 0.8 |
Topological Polar Surface Area | 121 |
H-Bond Donor | 5 |
H-Bond Acceptor | 8 |
Rotational Bond Count | 4 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C(C=C2CCNC3C2=C1C4=CC=CC=C4C3)OC5C(C(C(C(O5)CO)O)O)O |
Isomeric SMILE | COC1=C(C=C2CCN[C@H]3C2=C1C4=CC=CC=C4C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 1322 |
Name | Berbamunine |
Pubchem ID | 440585 |
KEGG ID | C05177 |
Source | Stephania pierrei |
Type | Natural |
Function | Cytotoxic |
Drug Like Properties | No |
Molecular Weight | 596.71 |
Exact mass | 596.288637 |
Molecular formula | C36H40N2O6 |
XlogP | 6 |
Topological Polar Surface Area | 94.9 |
H-Bond Donor | 3 |
H-Bond Acceptor | 8 |
Rotational Bond Count | 8 |
IUPAC Name | (1R)-1-[[4-hydroxy-3-[4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)O)O)O)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)O)O)O)OC |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 1802 |
Name | Coclaurine |
Pubchem ID | 160487 |
KEGG ID | C06161 |
Source | Stephania pierrei |
Type | Natural |
Function | Anti-HIV |
Drug Like Properties | Yes |
Molecular Weight | 285.34 |
Exact mass | 285.136493 |
Molecular formula | C17H19NO3 |
XlogP | 2.6 |
Topological Polar Surface Area | 61.7 |
H-Bond Donor | 3 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 3 |
IUPAC Name | (1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)O)O |
Isomeric SMILE | COC1=C(C=C2[C@@H](NCCC2=C1)CC3=CC=C(C=C3)O)O |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 1986 |
Name | Daphnandrine |
Pubchem ID | 442214 |
KEGG ID | C09415 |
Source | Stephania pierrei |
Type | Natural |
Function | Antiprotozoal |
Drug Like Properties | No |
Molecular Weight | 594.70 |
Exact mass | 594.272987 |
Molecular formula | C36H38N2O6 |
XlogP | 5.9 |
Topological Polar Surface Area | 81.7 |
H-Bond Donor | 2 |
H-Bond Acceptor | 8 |
Rotational Bond Count | 3 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6)OC)O3)OC)O)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6)OC)O3)OC)O)OC |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 2800 |
Name | Nordicentrine |
Pubchem ID | 168363 |
KEGG ID | N/A |
Source | Stephania pierrei |
Type | Natural |
Function | Antimalarial |
Drug Like Properties | Yes |
Molecular Weight | 325.36 |
Exact mass | 325.131408 |
Molecular formula | C19H19NO4 |
XlogP | 2.8 |
Topological Polar Surface Area | 49 |
H-Bond Donor | 1 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C(C=C2C(=C1)CC3C4=C2C5=C(C=C4CCN3)OCO5)OC |
Isomeric SMILE | COC1=C(C=C2C(=C1)C[C@H]3C4=C2C5=C(C=C4CCN3)OCO5)OC |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 3323 |
Name | Tetrahydropalmatine |
Pubchem ID | 72301 |
KEGG ID | C02890 |
Source | Stephania pierrei |
Type | Natural |
Function | Cytotoxic |
Drug Like Properties | Yes |
Molecular Weight | 355.43 |
Exact mass | 355.178358 |
Molecular formula | C21H25NO4 |
XlogP | 3.2 |
Topological Polar Surface Area | 40.2 |
H-Bond Donor | 0 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 4 |
IUPAC Name | (13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC |
Isomeric SMILE | COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 3346 |
Name | Tetrahydropalmatine |
Pubchem ID | 72301 |
KEGG ID | C02890 |
Source | Stephania pierrei |
Type | Natural |
Function | Tranquilizer |
Drug Like Properties | Yes |
Molecular Weight | 355.43 |
Exact mass | 355.178358 |
Molecular formula | C21H25NO4 |
XlogP | 3.2 |
Topological Polar Surface Area | 40.2 |
H-Bond Donor | 0 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 4 |
IUPAC Name | (13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC |
Isomeric SMILE | COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |