ID | 1172 |
Name | Anonaine |
Pubchem ID | 160597 |
KEGG ID | C09339 |
Source | Nelumbo nucifera |
Type | Natural |
Function | Antimicrobial |
Drug Like Properties | Yes |
Molecular Weight | 265.31 |
Exact mass | 265.110279 |
Molecular formula | C17H15NO2 |
XlogP | 2.8 |
Topological Polar Surface Area | 30.5 |
H-Bond Donor | 1 |
H-Bond Acceptor | 3 |
Rotational Bond Count | 0 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5 |
Isomeric SMILE | C1CN[C@@H]2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5 |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
ID | 1180 |
Name | Anonaine |
Pubchem ID | 160597 |
KEGG ID | C09339 |
Source | Nelumbo nucifera |
Type | Natural |
Function | Smooth muscle relaxant |
Drug Like Properties | Yes |
Molecular Weight | 265.31 |
Exact mass | 265.110279 |
Molecular formula | C17H15NO2 |
XlogP | 2.8 |
Topological Polar Surface Area | 30.5 |
H-Bond Donor | 1 |
H-Bond Acceptor | 3 |
Rotational Bond Count | 0 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5 |
Isomeric SMILE | C1CN[C@@H]2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5 |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
ID | 1211 |
Name | Armepavine |
Pubchem ID | 442169 |
KEGG ID | C09342 |
Source | Nelumbo nucifera |
Type | Natural |
Function | Convulsions |
Drug Like Properties | Yes |
Molecular Weight | 313.39 |
Exact mass | 313.167794 |
Molecular formula | C19H23NO3 |
XlogP | 3.4 |
Topological Polar Surface Area | 41.9 |
H-Bond Donor | 1 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 4 |
IUPAC Name | 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)OC)OC |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
ID | 1221 |
Name | Armepavine |
Pubchem ID | 442169 |
KEGG ID | C09342 |
Source | Nelumbo nucifera |
Type | Natural |
Function | Immunosuppressive |
Drug Like Properties | Yes |
Molecular Weight | 313.39 |
Exact mass | 313.167794 |
Molecular formula | C19H23NO3 |
XlogP | 3.4 |
Topological Polar Surface Area | 41.9 |
H-Bond Donor | 1 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 4 |
IUPAC Name | 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)OC)OC |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
ID | 1804 |
Name | Coclaurine |
Pubchem ID | 160487 |
KEGG ID | C06161 |
Source | Nelumbo nucifera |
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 | 2761 |
Name | Neferine |
Pubchem ID | 159654 |
KEGG ID | N/A |
Source | Nelumbo nucifera |
Type | Natural |
Function | Anti-HIV |
Drug Like Properties | No |
Molecular Weight | 624.77 |
Exact mass | 624.319937 |
Molecular formula | C38H44N2O6 |
XlogP | 6.7 |
Topological Polar Surface Area | 72.9 |
H-Bond Donor | 1 |
H-Bond Acceptor | 8 |
Rotational Bond Count | 10 |
IUPAC Name | 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 2762 |
Name | Neferine |
Pubchem ID | 159654 |
KEGG ID | N/A |
Source | Nelumbo nucifera |
Type | Natural |
Function | Hypotensive |
Drug Like Properties | No |
Molecular Weight | 624.77 |
Exact mass | 624.319937 |
Molecular formula | C38H44N2O6 |
XlogP | 6.7 |
Topological Polar Surface Area | 72.9 |
H-Bond Donor | 1 |
H-Bond Acceptor | 8 |
Rotational Bond Count | 10 |
IUPAC Name | 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 2837 |
Name | Nuciferine |
Pubchem ID | 10146 |
KEGG ID | N/A |
Source | Nelumbo nucifera |
Type | Natural |
Function | CNS depressant |
Drug Like Properties | Yes |
Molecular Weight | 295.38 |
Exact mass | 295.157229 |
Molecular formula | C19H21NO2 |
XlogP | 3.4 |
Topological Polar Surface Area | 21.7 |
H-Bond Donor | 0 |
H-Bond Acceptor | 3 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=CC=CC=C43)OC)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=CC=C43)OC)OC |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 2838 |
Name | Nuciferine |
Pubchem ID | 10146 |
KEGG ID | N/A |
Source | Nelumbo nucifera |
Type | Natural |
Function | Glutamic acid antagonist |
Drug Like Properties | Yes |
Molecular Weight | 295.38 |
Exact mass | 295.157229 |
Molecular formula | C19H21NO2 |
XlogP | 3.4 |
Topological Polar Surface Area | 21.7 |
H-Bond Donor | 0 |
H-Bond Acceptor | 3 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=CC=CC=C43)OC)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=CC=C43)OC)OC |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 2839 |
Name | Nuciferine |
Pubchem ID | 10146 |
KEGG ID | N/A |
Source | Nelumbo nucifera |
Type | Natural |
Function | Anti-HIV |
Drug Like Properties | Yes |
Molecular Weight | 295.38 |
Exact mass | 295.157229 |
Molecular formula | C19H21NO2 |
XlogP | 3.4 |
Topological Polar Surface Area | 21.7 |
H-Bond Donor | 0 |
H-Bond Acceptor | 3 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=CC=CC=C43)OC)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=CC=C43)OC)OC |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 2959 |
Name | Pronuciferine |
Pubchem ID | 200480 |
KEGG ID | C09611 |
Source | Nelumbo nucifera |
Type | Natural |
Function | Anaesthetic |
Drug Like Properties | Yes |
Molecular Weight | 311.37 |
Exact mass | 311.152144 |
Molecular formula | C19H21NO3 |
XlogP | 2.5 |
Topological Polar Surface Area | 38.8 |
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 | CN1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)OC)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@H]1CC34C=CC(=O)C=C4)OC)OC |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |