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- ChemComp-SJZ: (~{E})-3-[3-(2-methyl-3-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-e... -

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Basic information

EntryDatabase: PDB chemical components / ID: SJZ
NameName: (~{E})-3-[3-(2-methyl-3-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid

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Chemical information

Composition
Formula: C22H18O3 / Number of atoms: 43 / Formula weight: 330.377 / Formal charge: 0
Others

5mmw

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SJZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5MMW
History
Create componentDec 12, 2016
Initial releaseNov 8, 2017
External linksUniChem / ChemSpider / PubChem / 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 3.385Cc1c(cccc1c2cc(C=CC(O)=O)ccc2O)c3ccccc3
OpenEye OEToolkits 2.0.6Cc1c(cccc1c2cc(ccc2O)C=CC(=O)O)c3ccccc3

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SMILES CANONICAL

CACTVS 3.385Cc1c(cccc1c2cc(/C=C/C(O)=O)ccc2O)c3ccccc3
OpenEye OEToolkits 2.0.6Cc1c(cccc1c2cc(ccc2O)/C=C/C(=O)O)c3ccccc3

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InChI

InChI 1.03InChI=1S/C22H18O3/c1-15-18(17-6-3-2-4-7-17)8-5-9-19(15)20-14-16(10-12-21(20)23)11-13-22(24)25/h2-14,23H,1H3,(H,24,25)/b13-11+

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InChIKey

InChI 1.03OOQAHTQNBHHYCI-ACCUITESSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6(~{E})-3-[3-(2-methyl-3-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid

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PDB entries

Showing all 1 items

PDB-5mmw:
Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 6 and a fragment of the TIF2 co-activator.

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