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BioLiP

PDB CCD ID: 8PS
Number of entries in BioLiP: 2
Chemical formula: C20 H26 O2
InChI: InChI=1S/C20H26O2/c1-2-3-4-5-6-8-11-17-14-15-20(19(21)16-17)22-18-12-9-7-10-13-18/h7,9-10,12-16,21H,2-6,8,11H2,1H3
InChIKey: JOWYBLIPWAMIHM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCCCCCc1ccc(Oc2ccccc2)c(O)c1
ACDLabs 10.04O(c1ccccc1)c2ccc(cc2O)CCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCc1ccc(c(c1)O)Oc2ccccc2
Name:5-OCTYL-2-PHENOXYPHENOL
ChEMBL: CHEMBL505886
ZINC: ZINC000014961116
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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