Chemical Components in the PDB

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8QO : Summary

Code

8QO

One-letter code

X

Molecule name

5-methoxy-2-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 5-methoxy-2-[(5~{R})-5-methyl-4,5-dihydro-1~{H}-imidazol-2-yl]phenol

Formula

C11 H14 N2 O2

Formal charge

0

Molecular weight

206.241 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc(c(O)c1)C2=NC[CH](C)N2
SMILES OpenEye OEToolkits 2.0.6 CC1CN=C(N1)c2ccc(cc2O)OC
Canonical SMILES CACTVS 3.385 COc1ccc(c(O)c1)C2=NC[C@@H](C)N2
Canonical SMILES OpenEye OEToolkits 2.0.6 C[C@@H]1CN=C(N1)c2ccc(cc2O)OC

IUPAC InChI

InChI=1S/C11H14N2O2/c1-7-6-12-11(13-7)9-4-3-8(15-2)5-10(9)14/h3-5,7,14H,6H2,1-2H3,(H,12,13)/t7-/m1/s1

IUPAC InChI key

GSHCIAWYWVRHMS-SSDOTTSWSA-N
8QO

wwPDB Information

Atom count

29 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-08-25

Last modified at

2018-08-03

Status

Released

Obsoleted

Not Assigned