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- ChemComp-M0F: 4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: M0F
NameName: 4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid

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Chemical information

Composition
Formula: C16H12O4 / Number of atoms: 32 / Formula weight: 268.264 / Formal charge: 0
Others

8afr

Type: non-polymer / PDB classification: HETAIN / Three letter code: M0F / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8AFR
History
Create componentJul 18, 2022
Modify descriptorAug 22, 2022
Initial releaseFeb 1, 2023
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 3.385OC(=O)c1ccc(Cc2coc3cc(O)ccc23)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1Cc2coc3c2ccc(c3)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)c1ccc(Cc2coc3cc(O)ccc23)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1Cc2coc3c2ccc(c3)O)C(=O)O

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InChI

InChI 1.06InChI=1S/C16H12O4/c17-13-5-6-14-12(9-20-15(14)8-13)7-10-1-3-11(4-2-10)16(18)19/h1-6,8-9,17H,7H2,(H,18,19)

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InChIKey

InChI 1.06AVYRIDIODQDKPX-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-8afr:
Pim1 in complex with 4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid and Pimtide

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