SEQ2FUN

BioLiP

PDB CCD ID: VTL
Number of entries in BioLiP: 2
Chemical formula: C9 H12 O3
InChI: InChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3
InChIKey: XHUBSJRBOQIZNI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cc(ccc1O)CCO
CACTVS 3.385COc1cc(CCO)ccc1O
ACDLabs 12.01Oc1ccc(cc1OC)CCO
Name:4-(2-hydroxyethyl)-2-methoxyphenol
ChEMBL: CHEMBL3747068
ZINC: ZINC000000388293
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).