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BioLiP

PDB CCD ID: 7FL
Number of entries in BioLiP: 2
Chemical formula: C20 H22 O2
InChI: InChI=1S/C20H22O2/c21-18-11-7-16(8-12-18)20(15-5-3-1-2-4-6-15)17-9-13-19(22)14-10-17/h7-14,21-22H,1-6H2
InChIKey: XVTAYJKFHUKWSR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1C(=C2CCCCCC2)c3ccc(cc3)O)O
CACTVS 3.385Oc1ccc(cc1)C(=C2CCCCCC2)c3ccc(O)cc3
ACDLabs 12.01Oc1ccc(cc1)\C(=C2\CCCCCC2)c3ccc(O)cc3
Name:4,4'-(cycloheptylidenemethylene)diphenol
ChEMBL: CHEMBL154947
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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