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BioLiP

PDB CCD ID: WHN
Number of entries in BioLiP: 1
Chemical formula: C17 H14 O3
InChI: InChI=1S/C17H14O3/c18-14-10-15(20-17(19)11-14)9-8-13-6-3-5-12-4-1-2-7-16(12)13/h1-7,10-11,18H,8-9H2
InChIKey: UGHZLTCNBUVNBE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OC=1C=C(CCc2cccc3ccccc32)OC(=O)C=1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cccc2CCC3=CC(=CC(=O)O3)O
CACTVS 3.385OC1=CC(=O)OC(=C1)CCc2cccc3ccccc23
Name:4-hydroxy-6-[2-(naphthalen-1-yl)ethyl]-2H-pyran-2-one
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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