ID | 1208 |
Name | Armepavine |
Pubchem ID | 442169 |
KEGG ID | C09342 |
Source | Berberis integerrima |
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. Karimov,Kim.Prir.Soedin.,(1993),70 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 1218 |
Name | Armepavine |
Pubchem ID | 442169 |
KEGG ID | C09342 |
Source | Berberis integerrima |
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. Karimov,Kim.Prir.Soedin.,(1993),70 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 1337 |
Name | Berberine |
Pubchem ID | 2353 |
KEGG ID | D06817 |
Source | Berberis integerrima |
Type | Natural |
Function | Antiparasitic |
Drug Like Properties | Yes |
Molecular Weight | 336.36 |
Exact mass | 336.123583 |
Molecular formula | C20H18NO4+ |
XlogP | 3.6 |
Topological Polar Surface Area | 40.8 |
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 | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 1389 |
Name | Berberine |
Pubchem ID | 2353 |
KEGG ID | D06817 |
Source | Berberis integerrima |
Type | Natural |
Function | Antifungal |
Drug Like Properties | Yes |
Molecular Weight | 336.36 |
Exact mass | 336.123583 |
Molecular formula | C20H18NO4+ |
XlogP | 3.6 |
Topological Polar Surface Area | 40.8 |
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 | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 1441 |
Name | Berberine |
Pubchem ID | 2353 |
KEGG ID | D06817 |
Source | Berberis integerrima |
Type | Natural |
Function | Antidiarrheal |
Drug Like Properties | Yes |
Molecular Weight | 336.36 |
Exact mass | 336.123583 |
Molecular formula | C20H18NO4+ |
XlogP | 3.6 |
Topological Polar Surface Area | 40.8 |
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 | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |
ID | 2190 |
Name | Glaucine |
Pubchem ID | 16754 |
KEGG ID | C09446 |
Source | Berberis integerrima |
Type | Natural |
Function | Antitussive |
Drug Like Properties | Yes |
Molecular Weight | 355.43 |
Exact mass | 355.178358 |
Molecular formula | C21H25NO4 |
XlogP | 3.4 |
Topological Polar Surface Area | 40.2 |
H-Bond Donor | 0 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 4 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC |
Drugpedia | wiki |
References | 1. Karimov,Khim.Prir.Soedin.,(1993),472 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2219 |
Name | Glaucine |
Pubchem ID | 16754 |
KEGG ID | C09446 |
Source | Berberis integerrima |
Type | Natural |
Function | Antioxidant |
Drug Like Properties | Yes |
Molecular Weight | 355.43 |
Exact mass | 355.178358 |
Molecular formula | C21H25NO4 |
XlogP | 3.4 |
Topological Polar Surface Area | 40.2 |
H-Bond Donor | 0 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 4 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC |
Drugpedia | wiki |
References | 1. Karimov,Khim.Prir.Soedin.,(1993),472 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2586 |
Name | Magnoflorine |
Pubchem ID | 73337 |
KEGG ID | C09581 |
Source | Berberis integerrima |
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. Karimov,Khim.Prir.Soedin.,(1993),472 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2634 |
Name | Magnoflorine |
Pubchem ID | 73337 |
KEGG ID | C09581 |
Source | Berberis integerrima |
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. Karimov,Khim.Prir.Soedin.,(1993),472 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3054 |
Name | Reticuline |
Pubchem ID | 10233 |
KEGG ID | C12328 |
Source | Berberis integerrima |
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. Karimov,Khim.Prir.Soedin.,(1993),70 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |