SEQ2FUN

BioLiP

PDB CCD ID: DIE
Number of entries in BioLiP: 2
Chemical formula: C10 H14 O
InChI: InChI=1S/C10H14O/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7,11H,3-4H2,1-2H3
InChIKey: METWAQRCMRWDAW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCc1cccc(CC)c1O
ACDLabs 10.04Oc1c(cccc1CC)CC
OpenEye OEToolkits 1.5.0CCc1cccc(c1O)CC
Name:2,6-diethylphenol
ChEMBL: CHEMBL30014
ZINC: ZINC000002004532
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).