ID | 1658 |
Name | (-)-Caaverine |
Pubchem ID | 23335 |
KEGG ID | C09368 |
Source | Zizyphus vulgaris |
Type | Natural |
Function | Toxic |
Drug Like Properties | Yes |
Molecular Weight | 267.32 |
Exact mass | 267.125929 |
Molecular formula | C17H17NO2 |
XlogP | 2.6 |
Topological Polar Surface Area | 41.5 |
H-Bond Donor | 2 |
H-Bond Acceptor | 3 |
Rotational Bond Count | 1 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C(C2=C3C(CC4=CC=CC=C42)NCCC3=C1)O |
Isomeric SMILE | COC1=C(C2=C3[C@@H](CC4=CC=CC=C42)NCCC3=C1)O |
Drugpedia | wiki |
References | 1. Han,Arch.Pharmacol.Res.,12,(1989),263 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 1803 |
Name | Coclaurine |
Pubchem ID | 160487 |
KEGG ID | C06161 |
Source | Zizyphus vulgaris |
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. Han,Arch.Pharmacol.Res.,12,(1989),263 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |