Record No. 1 of 1

ID1788
NameCoclaurine
Pubchem ID160487
KEGG IDC06161
SourceCocculus hirsutus
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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