Record No. 1 of 2

ID1658
Name(-)-Caaverine
Pubchem ID23335
KEGG IDC09368
SourceZizyphus vulgaris
TypeNatural
FunctionToxic
Drug Like PropertiesYes
Molecular Weight267.32
Exact mass267.125929
Molecular formulaC17H17NO2
XlogP2.6
Topological Polar Surface Area41.5
H-Bond Donor2
H-Bond Acceptor3
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C3C(CC4=CC=CC=C42)NCCC3=C1)O
Isomeric SMILECOC1=C(C2=C3[C@@H](CC4=CC=CC=C42)NCCC3=C1)O
Drugpediawiki
References1. 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  
Record No. 2 of 2

ID1803
NameCoclaurine
Pubchem ID160487
KEGG IDC06161
SourceZizyphus vulgaris
TypeNatural
FunctionAnti-HIV
Drug Like PropertiesYes
Molecular Weight285.34
Exact mass285.136493
Molecular formulaC17H19NO3
XlogP2.6
Topological Polar Surface Area61.7
H-Bond Donor3
H-Bond Acceptor4
Rotational Bond Count3
IUPAC Name(1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)O)O
Isomeric SMILECOC1=C(C=C2[C@@H](NCCC2=C1)CC3=CC=C(C=C3)O)O
Drugpediawiki
References1. 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