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BioLiP

PDB CCD ID: HF6
Number of entries in BioLiP: 2
Chemical formula: C10 H10 O3
InChI: InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+
InChIKey: NITWSHWHQAQBAW-QPJJXVBHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC(=O)/C=C/c1ccc(O)cc1
CACTVS 3.385COC(=O)C=Cc1ccc(O)cc1
OpenEye OEToolkits 2.0.7COC(=O)C=Cc1ccc(cc1)O
OpenEye OEToolkits 2.0.7COC(=O)/C=C/c1ccc(cc1)O
Name:methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
ChEMBL: CHEMBL146816
ZINC: ZINC000000153731
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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