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BioLiP

PDB CCD ID: 6PN
Number of entries in BioLiP: 8
Chemical formula: C18 H22 O2
InChI: InChI=1S/C18H22O2/c1-2-3-4-6-9-15-12-13-18(17(19)14-15)20-16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3
InChIKey: SXGQGHHNOWYMRT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCc1ccc(c(c1)O)Oc2ccccc2
CACTVS 3.370CCCCCCc1ccc(Oc2ccccc2)c(O)c1
ACDLabs 12.01O(c1ccccc1)c2ccc(cc2O)CCCCCC
Name:5-hexyl-2-phenoxyphenol
ChEMBL: CHEMBL264682
ZINC: ZINC000014961112
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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