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BioLiP

PDB CCD ID: 7FJ
Number of entries in BioLiP: 2
Chemical formula: C22 H18 O2
InChI: InChI=1S/C22H18O2/c23-20-9-5-15(6-10-20)22(16-7-11-21(24)12-8-16)19-13-17-3-1-2-4-18(17)14-19/h1-12,23-24H,13-14H2
InChIKey: GYIQBNATKDEJGJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1)C(=C2Cc3ccccc3C2)c4ccc(O)cc4
ACDLabs 12.01C1/C(Cc2c1cccc2)=C(/c3ccc(cc3)O)c4ccc(cc4)O
OpenEye OEToolkits 2.0.6c1ccc2c(c1)CC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2
Name:4,4'-[(1,3-dihydro-2H-inden-2-ylidene)methylene]diphenol
ZINC: ZINC000584905375

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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