SEQ2FUN

BioLiP

PDB CCD ID: W1G
Number of entries in BioLiP: 8
Chemical formula: C15 H14 O2
InChI: InChI=1S/C15H14O2/c1-2-6-12-9-10-15(14(16)11-12)17-13-7-4-3-5-8-13/h2-5,7-11,16H,1,6H2
InChIKey: DBZGFSBCPYRHRA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1cc(CC=C)ccc1Oc2ccccc2
ACDLabs 12.01O(c1ccccc1)c2ccc(cc2O)C\C=C
OpenEye OEToolkits 1.9.2C=CCc1ccc(c(c1)O)Oc2ccccc2
Name:2-PHENOXY-5-(2-PROPENYL)PHENOL
ZINC: ZINC000095921369
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).