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BioLiP

PDB CCD ID: 9RJ
Number of entries in BioLiP: 2
Chemical formula: C18 H14 O2
InChI: InChI=1S/C18H14O2/c19-17-11-9-13(12-18(17)20)8-10-15-6-3-5-14-4-1-2-7-16(14)15/h1-12,19-20H/b10-8+
InChIKey: XOIWJLBRXWVWJJ-CSKARUKUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(C=Cc2cccc3ccccc23)cc1O
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cccc2C=Cc3ccc(c(c3)O)O
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cccc2/C=C/c3ccc(c(c3)O)O
CACTVS 3.385Oc1ccc(\C=C\c2cccc3ccccc23)cc1O
Name:4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol
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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