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BioLiP

PDB CCD ID: A1LWH
Number of entries in BioLiP: 1
Chemical formula: C17 H18 O2
InChI: InChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+
InChIKey: ZISJNXNHJRQYJO-CMDGGOBGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)c1c(cc(cc1O)/C=C/c2ccccc2)O
CACTVS 3.385CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O
OpenEye OEToolkits 2.0.7CC(C)c1c(cc(cc1O)C=Cc2ccccc2)O
CACTVS 3.385CC(C)c1c(O)cc(C=Cc2ccccc2)cc1O
Name:5-[(E)-2-phenylethenyl]-2-propan-2-yl-benzene-1,3-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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