SEQ2FUN

BioLiP

PDB CCD ID: A1AXA
Number of entries in BioLiP: 2
Chemical formula: C12 H16 O3
InChI: InChI=1S/C12H16O3/c13-9-10-1-3-11(4-2-10)15-12-5-7-14-8-6-12/h1-4,12-13H,5-9H2
InChIKey: VFZJVDCLRTTYDL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCc1ccc(OC2CCOCC2)cc1
ACDLabs 12.01OCc1ccc(cc1)OC1CCOCC1
OpenEye OEToolkits 2.0.7c1cc(ccc1CO)OC2CCOCC2
Name:{4-[(oxan-4-yl)oxy]phenyl}methanol
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).