ID | 1216 |
Name | Armepavine |
Pubchem ID | 442169 |
KEGG ID | C09342 |
Source | Roemeria refracta |
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. Gozler,J.Nat.Prod.,53,(1990),666 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 1226 |
Name | Armepavine |
Pubchem ID | 442169 |
KEGG ID | C09342 |
Source | Roemeria refracta |
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. Gozler,J.Nat.Prod.,53,(1990),666 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 1798 |
Name | Coclaurine |
Pubchem ID | 160487 |
KEGG ID | C06161 |
Source | Roemeria refracta |
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. Gozler,Helv.Chim.Acta,75,(1992),260 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |