ID | 1148 |
Name | Amurensine |
Pubchem ID | 442164 |
KEGG ID | C09333 |
Source | Papaver caucasicum |
Type | Natural |
Function | Tranquilizer |
Drug Like Properties | Yes |
Molecular Weight | 325.36 |
Exact mass | 325.131408 |
Molecular formula | C19H19NO4 |
XlogP | 2.7 |
Topological Polar Surface Area | 51.2 |
H-Bond Donor | 1 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 1 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CC2C3=CC(=C(C=C3CC1C4=CC5=C(C=C24)OCO5)OC)O |
Isomeric SMILE | CN1C[C@@H]2C3=CC(=C(C=C3C[C@H]1C4=CC5=C(C=C24)OCO5)OC)O |
Drugpedia | wiki |
References | 1. Shafiee,J.Sci.Islamic Repub.Iran,7,(1996),263 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 1212 |
Name | Armepavine |
Pubchem ID | 442169 |
KEGG ID | C09342 |
Source | Papaver caucasicum |
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 | 1222 |
Name | Armepavine |
Pubchem ID | 442169 |
KEGG ID | C09342 |
Source | Papaver caucasicum |
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 | 2169 |
Name | Fugapavine |
Pubchem ID | 121336 |
KEGG ID | C09588 |
Source | Papaver caucasicum |
Type | Natural |
Function | Convulsions |
Drug Like Properties | Yes |
Molecular Weight | 295.33 |
Exact mass | 295.120843 |
Molecular formula | C18H17NO3 |
XlogP | 2.4 |
Topological Polar Surface Area | 38.8 |
H-Bond Donor | 0 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 0 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC3=C(C4=C2C1CC45C=CC(=O)C=C5)OCO3 |
Isomeric SMILE | CN1CCC2=CC3=C(C4=C2[C@@H]1CC45C=CC(=O)C=C5)OCO3 |
Drugpedia | wiki |
References | 1. Shafiee,J.Sci.Islamic Repub.Iran,7,(1996),263 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2538 |
Name | Liriodenine |
Pubchem ID | 10144 |
KEGG ID | C09567 |
Source | Papaver caucasicum |
Type | Natural |
Function | Antifungal |
Drug Like Properties | Yes |
Molecular Weight | 275.26 |
Exact mass | 275.058243 |
Molecular formula | C17H9NO3 |
XlogP | 3.4 |
Topological Polar Surface Area | 48.4 |
H-Bond Donor | 0 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 0 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53 |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Shafiee,J.Sci.Islamic Repub.Iran,7,(1996),263 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3124 |
Name | Salutaridine |
Pubchem ID | 5408233 |
KEGG ID | C05179 |
Source | Papaver caucasicum |
Type | Natural |
Function | Anticancer |
Drug Like Properties | Yes |
Molecular Weight | 327.37 |
Exact mass | 327.147058 |
Molecular formula | C19H21NO4 |
XlogP | 1.9 |
Topological Polar Surface Area | 59 |
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 | CN1CCC23C=C(C(=O)C=C2C1CC4=C3C(=C(C=C4)OC)O)OC |
Isomeric SMILE | CN1CC[C@]23C=C(C(=O)C=C2[C@H]1CC4=C3C(=C(C=C4)OC)O)OC |
Drugpedia | wiki |
References | 1. Shafiee,J.Sci.Islamic Repub.Iran,7,(1996),263 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |