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- ChemComp-8KZ: 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-phenol -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: 8KZ
NameName: 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-phenol / Synonyms: Pinostilbene

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Chemical information

Composition
Formula: C15H14O3 / Number of atoms: 32 / Formula weight: 242.27 / Formal charge: 0
Others

7war

Type: non-polymer / PDB classification: HETAIN / Three letter code: 8KZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7WAR
History
Create componentDec 21, 2021
Initial releaseDec 21, 2022
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / ZINC / 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 3.385COc1cc(O)cc(C=Cc2ccc(O)cc2)c1
OpenEye OEToolkits 2.0.7COc1cc(cc(c1)O)C=Cc2ccc(cc2)O

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SMILES CANONICAL

CACTVS 3.385COc1cc(O)cc(/C=C/c2ccc(O)cc2)c1
OpenEye OEToolkits 2.0.7COc1cc(cc(c1)O)/C=C/c2ccc(cc2)O

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InChI

InChI 1.03InChI=1S/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+

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InChIKey

InChI 1.03KUWZXOMQXYWKBS-NSCUHMNNSA-N

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PDB entries

Showing all 3 items

PDB-7war:
SbSOMT in complex with pinostilbene and nicotinamide adenine dinucleotide(NAD+)

PDB-8ie6:
Crystal structure of DAPK1 in complex with pinostilbene

PDB-8w45:
X-ray crystal structure of V30M-TTR in complex with pinostilbene

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