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- ChemComp-U07: (2~5~S)-2~3~,2~5~,2~6~-trihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-... -

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Basic information

EntryDatabase: PDB chemical components / ID: U07
NameName: (2~5~S)-2~3~,2~5~,2~6~-trihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~(2~5~H)-one

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Chemical information

Composition
Formula: C18H14O4 / Number of atoms: 36 / Formula weight: 294.301 / Formal charge: 0
Others

6wf4

Type: non-polymer / PDB classification: HETAIN / Three letter code: U07 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6WF4
History
Create componentApr 6, 2020
Other modificationApr 6, 2020
Initial releaseApr 7, 2021
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(O)=C(c1ccccc1)C(C(=C(C2O)c3ccccc3)O)=O
CACTVS 3.385O[CH]1C(=C(c2ccccc2)C(=O)C(=C1c3ccccc3)O)O
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2=C(C(=O)C(=C(C2O)O)c3ccccc3)O

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SMILES CANONICAL

CACTVS 3.385O[C@@H]1C(=C(c2ccccc2)C(=O)C(=C1c3ccccc3)O)O
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2=C(C(=O)C(=C([C@H]2O)O)c3ccccc3)O

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InChI

InChI 1.03InChI=1S/C18H14O4/c19-15-13(11-7-3-1-4-8-11)16(20)18(22)14(17(15)21)12-9-5-2-6-10-12/h1-10,15,19-21H/t15-/m0/s1

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InChIKey

InChI 1.03ODPMSLCGNZJREU-HNNXBMFYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2~5~S)-2~3~,2~5~,2~6~-trihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~(2~5~H)-one
OpenEye OEToolkits 2.0.7(4~{S})-2,4,5-tris(oxidanyl)-3,6-diphenyl-cyclohexa-2,5-dien-1-one

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PDB entries

Showing all 1 items

PDB-6wf4:
Crystal Structure of TerC Co-crystallized with Polyporic Acid

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