SEQ2FUN

BioLiP

PDB CCD ID: 69H
Number of entries in BioLiP: 1
Chemical formula: C19 H23 F O2
InChI: InChI=1S/C19H23FO2/c1-3-4-5-6-10-15-12-17(21)19(13-16(15)20)22-18-11-8-7-9-14(18)2/h7-9,11-13,21H,3-6,10H2,1-2H3
InChIKey: GJZJMPMJSFDTJH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CCCCCCc1c(F)cc(c(c1)O)Oc2ccccc2C
OpenEye OEToolkits 2.0.4CCCCCCc1cc(c(cc1F)Oc2ccccc2C)O
CACTVS 3.385CCCCCCc1cc(O)c(Oc2ccccc2C)cc1F
Name:4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol
ZINC: ZINC000584904703
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).