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- ChemComp-GJ1: {6-[(4-methoxy-2-methylphenoxy)methyl]pyridin-2-yl}methanol -

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Basic information

EntryDatabase: PDB chemical components / ID: GJ1
NameName: {6-[(4-methoxy-2-methylphenoxy)methyl]pyridin-2-yl}methanol

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Chemical information

Composition
Formula: C15H17NO3 / Number of atoms: 36 / Formula weight: 259.3 / Formal charge: 0
Others

6di4

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GJ1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6DI4
History
Create componentMay 23, 2018
Initial releaseSep 5, 2018
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01c2(OCc1cccc(n1)CO)ccc(cc2C)OC
CACTVS 3.385COc1ccc(OCc2cccc(CO)n2)c(C)c1
OpenEye OEToolkits 2.0.6Cc1cc(ccc1OCc2cccc(n2)CO)OC

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SMILES CANONICAL

CACTVS 3.385COc1ccc(OCc2cccc(CO)n2)c(C)c1
OpenEye OEToolkits 2.0.6Cc1cc(ccc1OCc2cccc(n2)CO)OC

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InChI

InChI 1.03InChI=1S/C15H17NO3/c1-11-8-14(18-2)6-7-15(11)19-10-13-5-3-4-12(9-17)16-13/h3-8,17H,9-10H2,1-2H3

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InChIKey

InChI 1.03GBTFLQPUSKDFPL-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01{6-[(4-methoxy-2-methylphenoxy)methyl]pyridin-2-yl}methanol
OpenEye OEToolkits 2.0.6[6-[(4-methoxy-2-methyl-phenoxy)methyl]pyridin-2-yl]methanol

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PDB entries

Showing all 1 items

PDB-6di4:
Rational Modification of Vanillin Derivatives to Stereospecifically Destabilize Sickle Hemoglobin Polymer Formation

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