ID | 1168 |
Name | Anolobine |
Pubchem ID | 164710 |
KEGG ID | C09338 |
Source | Xylopia vieillardi |
Type | Natural |
Function | Antimicrobial |
Drug Like Properties | Yes |
Molecular Weight | 281.31 |
Exact mass | 281.105193 |
Molecular formula | C17H15NO3 |
XlogP | 2.5 |
Topological Polar Surface Area | 50.7 |
H-Bond Donor | 2 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 0 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | C1CNC2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5 |
Isomeric SMILE | C1CN[C@@H]2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5 |
Drugpedia | wiki |
References | 1. Jossang,J.Nat.Prod.,54,(1991),466 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2458 |
Name | Isoteolin |
Pubchem ID | 133323 |
KEGG ID | C09541 |
Source | Xylopia vieillardi |
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. Source 2. Function 3. All Records |
ID | 2619 |
Name | Magnoflorine |
Pubchem ID | 73337 |
KEGG ID | C09581 |
Source | Xylopia vieillardi |
Type | Natural |
Function | Hypotensive |
Drug Like Properties | Yes |
Molecular Weight | 342.41 |
Exact mass | 342.170533 |
Molecular formula | C20H24NO4+ |
XlogP | 2.7 |
Topological Polar Surface Area | 58.9 |
H-Bond Donor | 2 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C |
Isomeric SMILE | C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C |
Drugpedia | wiki |
References | 1. Jossang,J.Nat.Prod.,54,(1991),466 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2667 |
Name | Magnoflorine |
Pubchem ID | 73337 |
KEGG ID | C09581 |
Source | Xylopia vieillardi |
Type | Natural |
Function | Antioxidant |
Drug Like Properties | Yes |
Molecular Weight | 342.41 |
Exact mass | 342.170533 |
Molecular formula | C20H24NO4+ |
XlogP | 2.7 |
Topological Polar Surface Area | 58.9 |
H-Bond Donor | 2 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C |
Isomeric SMILE | C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C |
Drugpedia | wiki |
References | 1. Jossang,J.Nat.Prod.,54,(1991),466 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3081 |
Name | Reticuline |
Pubchem ID | 10233 |
KEGG ID | C12328 |
Source | Xylopia vieillardi |
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. Source 2. Function 3. All Records |
ID | 3472 |
Name | Xylopine |
Pubchem ID | 160503 |
KEGG ID | C09670 |
Source | Xylopia vieillardi |
Type | Natural |
Function | Analgesic |
Drug Like Properties | Yes |
Molecular Weight | 295.33 |
Exact mass | 295.120843 |
Molecular formula | C18H17NO3 |
XlogP | 2.8 |
Topological Polar Surface Area | 39.7 |
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 | COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5 |
Isomeric SMILE | COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5 |
Drugpedia | wiki |
References | 1. Jossang,J.Nat.Prod.,54,(1991),466 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3484 |
Name | Xylopine |
Pubchem ID | 160503 |
KEGG ID | C09670 |
Source | Xylopia vieillardi |
Type | Natural |
Function | Leishmanicidal |
Drug Like Properties | Yes |
Molecular Weight | 295.33 |
Exact mass | 295.120843 |
Molecular formula | C18H17NO3 |
XlogP | 2.8 |
Topological Polar Surface Area | 39.7 |
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 | COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5 |
Isomeric SMILE | COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5 |
Drugpedia | wiki |
References | 1. Jossang,J.Nat.Prod.,54,(1991),466 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3496 |
Name | Xylopine |
Pubchem ID | 160503 |
KEGG ID | C09670 |
Source | Xylopia vieillardi |
Type | Natural |
Function | Antiplatelet |
Drug Like Properties | Yes |
Molecular Weight | 295.33 |
Exact mass | 295.120843 |
Molecular formula | C18H17NO3 |
XlogP | 2.8 |
Topological Polar Surface Area | 39.7 |
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 | COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5 |
Isomeric SMILE | COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5 |
Drugpedia | wiki |
References | 1. Jossang,J.Nat.Prod.,54,(1991),466 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |