SEQ2FUN

BioLiP

PDB CCD ID: MJ5
Number of entries in BioLiP: 8
Chemical formula: C13 H12 O2
InChI: InChI=1S/C13H12O2/c1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKey: HUPPMDCSGSHZHI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O(c1ccccc1)c2ccc(cc2O)C
CACTVS 3.370Cc1ccc(Oc2ccccc2)c(O)c1
OpenEye OEToolkits 1.7.6Cc1ccc(c(c1)O)Oc2ccccc2
Name:5-methyl-2-phenoxyphenol
ChEMBL: CHEMBL148755
ZINC: ZINC000013559002
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).