ID | 1243 |
Name | Atheroline |
Pubchem ID | 5360043 |
KEGG ID | C09343 |
Source | Atherosperma moschatum |
Type | Natural |
Function | Unknown |
Drug Like Properties | Yes |
Molecular Weight | 337.33 |
Exact mass | 337.095023 |
Molecular formula | C19H15NO5 |
XlogP | 0.7 |
Topological Polar Surface Area | 73.9 |
H-Bond Donor | 1 |
H-Bond Acceptor | 6 |
Rotational Bond Count | 3 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=CC2=C3C4=C(C(=O)C2=CC1=O)NC=CC4=CC(=C3OC)OC |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
ID | 1251 |
Name | Atherospermidine |
Pubchem ID | 77514 |
KEGG ID | C09347 |
Source | Atherosperma moschatum |
Type | Natural |
Function | Cytotoxic |
Drug Like Properties | Yes |
Molecular Weight | 305.28 |
Exact mass | 305.068808 |
Molecular formula | C18H11NO4 |
XlogP | 3.4 |
Topological Polar Surface Area | 57.7 |
H-Bond Donor | 0 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 1 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C2C(=C3C4=CC=CC=C4C(=O)C5=NC=CC1=C35)OCO2 |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
ID | 1253 |
Name | (+)-Atherospermoline |
Pubchem ID | 177154 |
KEGG ID | C11141 |
Source | Atherosperma moschatum |
Type | Natural |
Function | Hypotensive |
Drug Like Properties | No |
Molecular Weight | 594.70 |
Exact mass | 594.272987 |
Molecular formula | C36H38N2O6 |
XlogP | 5.7 |
Topological Polar Surface Area | 83.9 |
H-Bond Donor | 2 |
H-Bond Acceptor | 8 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC |
Isomeric SMILE | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
ID | 1271 |
Name | Berbamine |
Pubchem ID | 275182 |
KEGG ID | C09357 |
Source | Atherosperma moschatum |
Type | Natural |
Function | Antibiotic |
Drug Like Properties | No |
Molecular Weight | 608.72 |
Exact mass | 608.288637 |
Molecular formula | C37H40N2O6 |
XlogP | 6.1 |
Topological Polar Surface Area | 72.9 |
H-Bond Donor | 1 |
H-Bond Acceptor | 8 |
Rotational Bond Count | 3 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC |
Isomeric SMILE | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
ID | 1288 |
Name | Berbamine |
Pubchem ID | 275182 |
KEGG ID | C09357 |
Source | Atherosperma moschatum |
Type | Natural |
Function | Anticancer |
Drug Like Properties | No |
Molecular Weight | 608.72 |
Exact mass | 608.288637 |
Molecular formula | C37H40N2O6 |
XlogP | 6.1 |
Topological Polar Surface Area | 72.9 |
H-Bond Donor | 1 |
H-Bond Acceptor | 8 |
Rotational Bond Count | 3 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC |
Isomeric SMILE | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
ID | 1305 |
Name | Berbamine |
Pubchem ID | 275182 |
KEGG ID | C09357 |
Source | Atherosperma moschatum |
Type | Natural |
Function | Vasodilator |
Drug Like Properties | No |
Molecular Weight | 608.72 |
Exact mass | 608.288637 |
Molecular formula | C37H40N2O6 |
XlogP | 6.1 |
Topological Polar Surface Area | 72.9 |
H-Bond Donor | 1 |
H-Bond Acceptor | 8 |
Rotational Bond Count | 3 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC |
Isomeric SMILE | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |