SEQ2FUN

BioLiP

PDB CCD ID: A1AQC
Number of entries in BioLiP: 8
Chemical formula: C9 H10 O2
InChI: InChI=1S/C9H10O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5,10H,3-4,6H2
InChIKey: XQDNBMXUZGAWSZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCc1ccc2OCCc2c1
OpenEye OEToolkits 2.0.7c1cc2c(cc1CO)CCO2
ACDLabs 12.01OCc1cc2CCOc2cc1
Name:(2,3-dihydro-1-benzofuran-5-yl)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).