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- ChemComp-EZE: trans-oxyresveratrol -

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Basic information

EntryDatabase: PDB chemical components / ID: EZE
NameName: trans-oxyresveratrol

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Chemical information

Composition
Formula: C14H12O4 / Number of atoms: 30 / Formula weight: 244.243 / Formal charge: 0
Others

6gic

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EZE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6GIC
History
Create componentMay 10, 2018
Initial releaseSep 12, 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

CACTVS 3.385Oc1ccc(C=Cc2cc(O)cc(O)c2)c(O)c1
OpenEye OEToolkits 2.0.6c1cc(c(cc1O)O)C=Cc2cc(cc(c2)O)O

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SMILES CANONICAL

CACTVS 3.385Oc1ccc(\C=C\c2cc(O)cc(O)c2)c(O)c1
OpenEye OEToolkits 2.0.6c1cc(c(cc1O)O)/C=C/c2cc(cc(c2)O)O

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InChI

InChI 1.03InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+

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InChIKey

InChI 1.03PDHAOJSHSJQANO-OWOJBTEDSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.64-[(~{E})-2-[3,5-bis(oxidanyl)phenyl]ethenyl]benzene-1,3-diol

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PDB entries

Showing all 4 items

PDB-6gic:
Crystal structure of glutathione transferase Omega 2S from Trametes versicolor in complex with oxyresveratrol

PDB-6sr9:
Crystal structure of glutathione transferase Omega 2C from Trametes versicolor in complex with oxyresveratrol

PDB-8ie5:
Crystal structure of DAPK1 in complex with oxyresveratrol

PDB-8w44:
X-ray crystal structure of V30M-TTR in complex with oxyresveratrol

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