SEQ2FUN

BioLiP

PDB CCD ID: 8ZE
Number of entries in BioLiP: 1
Chemical formula: C9 H10 O3
InChI: InChI=1S/C9H10O3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5,10H,3-4,6H2
InChIKey: FFLHNBGNAWYMRH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(cc1CO)OCCO2
CACTVS 3.385OCc1ccc2OCCOc2c1
ACDLabs 12.01O1c2c(OCC1)cc(cc2)CO
Name:2,3-dihydro-1,4-benzodioxin-6-ylmethanol
ChEMBL: CHEMBL4582404
ZINC: ZINC000004271837
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).