ID | 1573 |
Name | Boldine |
Pubchem ID | 10154 |
KEGG ID | C09365 |
Source | Nectandra salicifolia |
Type | Natural |
Function | Choleretics |
Drug Like Properties | Yes |
Molecular Weight | 327.37 |
Exact mass | 327.147058 |
Molecular formula | C19H21NO4 |
XlogP | 2.7 |
Topological Polar Surface Area | 62.2 |
H-Bond Donor | 2 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)O |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)O |
Drugpedia | wiki |
References | 1. Bohlke,J.Nat.Prod.,59,(1996),576 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 1588 |
Name | Boldine |
Pubchem ID | 10154 |
KEGG ID | C09365 |
Source | Nectandra salicifolia |
Type | Natural |
Function | laxative |
Drug Like Properties | Yes |
Molecular Weight | 327.37 |
Exact mass | 327.147058 |
Molecular formula | C19H21NO4 |
XlogP | 2.7 |
Topological Polar Surface Area | 62.2 |
H-Bond Donor | 2 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)O |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)O |
Drugpedia | wiki |
References | 1. Bohlke,J.Nat.Prod.,59,(1996),576 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 1603 |
Name | Boldine |
Pubchem ID | 10154 |
KEGG ID | C09365 |
Source | Nectandra salicifolia |
Type | Natural |
Function | Antioxidant |
Drug Like Properties | Yes |
Molecular Weight | 327.37 |
Exact mass | 327.147058 |
Molecular formula | C19H21NO4 |
XlogP | 2.7 |
Topological Polar Surface Area | 62.2 |
H-Bond Donor | 2 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)O |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)O |
Drugpedia | wiki |
References | 1. Bohlke,J.Nat.Prod.,59,(1996),576 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 1792 |
Name | Coclaurine |
Pubchem ID | 160487 |
KEGG ID | C06161 |
Source | Nectandra salicifolia |
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. Bohlke,J.Nat.Prod.,59,(1996),576 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2254 |
Name | Glaziovine |
Pubchem ID | 442245 |
KEGG ID | C09457 |
Source | Nectandra salicifolia |
Type | Natural |
Function | Antidepressant |
Drug Like Properties | Yes |
Molecular Weight | 297.35 |
Exact mass | 297.136493 |
Molecular formula | C18H19NO3 |
XlogP | 2.2 |
Topological Polar Surface Area | 49.8 |
H-Bond Donor | 1 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 1 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)O)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@H]1CC34C=CC(=O)C=C4)O)OC |
Drugpedia | wiki |
References | 1. Bohlke,J.Nat.Prod.,59,(1996),576 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2443 |
Name | Isoteolin |
Pubchem ID | 133323 |
KEGG ID | C09541 |
Source | Nectandra salicifolia |
Type | Natural |
Function | Insect feeding inhibitor |
Drug Like Properties | Yes |
Molecular Weight | 327.37 |
Exact mass | 327.147058 |
Molecular formula | C19H21NO4 |
XlogP | 2.2 |
Topological Polar Surface Area | 62.2 |
H-Bond Donor | 2 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)O)OC |
Drugpedia | wiki |
References | 1. Bohlke,J.Nat.Prod.,59,(1996),576 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3071 |
Name | Reticuline |
Pubchem ID | 10233 |
KEGG ID | C12328 |
Source | Nectandra salicifolia |
Type | Natural |
Function | Dopamine Antagonist |
Drug Like Properties | Yes |
Molecular Weight | 329.39 |
Exact mass | 329.162708 |
Molecular formula | C19H23NO4 |
XlogP | 3 |
Topological Polar Surface Area | 62.2 |
H-Bond Donor | 2 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 4 |
IUPAC Name | 1-[(3-hydroxy-4-methoxyphenyl)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)OC)O)O)OC |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Bohlke,J.Nat.Prod.,59,(1996),576 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |