SEQ2FUN

BioLiP

PDB CCD ID: H7Y
Number of entries in BioLiP: 8
Chemical formula: C10 H12 O2
InChI: InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+
InChIKey: BJIOGJUNALELMI-ONEGZZNKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C/C=C/c1ccc(c(c1)OC)O
CACTVS 3.385COc1cc(C=CC)ccc1O
OpenEye OEToolkits 1.7.6CC=Cc1ccc(c(c1)OC)O
CACTVS 3.385COc1cc(/C=C/C)ccc1O
Name:ISOEUGENOL
ChEMBL: CHEMBL193598
ZINC: ZINC000000391122
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).