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- ChemComp-CWE: R-naringenin -

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Basic information

EntryDatabase: PDB chemical components / ID: CWE
NameName: R-naringenin

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Chemical information

Composition
Formula: C15H12O5 / Number of atoms: 32 / Formula weight: 272.253 / Formal charge: 0
Others

6f71

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CWE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6F71
History
Create componentDec 11, 2017
Other modificationDec 11, 2017
Initial releaseJun 6, 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(cc1)[CH]2CC(=O)c3c(O)cc(O)cc3O2
OpenEye OEToolkits 2.0.6c1cc(ccc1C2CC(=O)c3c(cc(cc3O2)O)O)O

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SMILES CANONICAL

CACTVS 3.385Oc1ccc(cc1)[C@H]2CC(=O)c3c(O)cc(O)cc3O2
OpenEye OEToolkits 2.0.6c1cc(ccc1[C@H]2CC(=O)c3c(cc(cc3O2)O)O)O

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InChI

InChI 1.03InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1

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InChIKey

InChI 1.03FTVWIRXFELQLPI-CYBMUJFWSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6(2~{R})-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one

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PDB entries

Showing all 4 items

PDB-6f71:
Crystal structure of glutathione transferase Omega 6S from Trametes versicolor in complex with naringenin

PDB-6g8h:
Flavonoid-responsive Regulator FrrA in complex with (R,S)-Naringenin

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

PDB-7dqm:
E. coli GyrB ATPase domain in complex with Naringenin

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