Record No. 1 of 2

ID1794
NameCoclaurine
Pubchem ID160487
KEGG IDC06161
SourcePachygone ovata
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
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Record No. 2 of 2

ID2256
NameGlaziovine
Pubchem ID442245
KEGG IDC09457
SourcePachygone ovata
TypeNatural
FunctionAntidepressant
Drug Like PropertiesYes
Molecular Weight297.35
Exact mass297.136493
Molecular formulaC18H19NO3
XlogP2.2
Topological Polar Surface Area49.8
H-Bond Donor1
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)O)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@H]1CC34C=CC(=O)C=C4)O)OC
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References1. Source  
2. Function  
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