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BioLiP

PDB CCD ID: 8MK
Number of entries in BioLiP: 1
Chemical formula: C10 H10 O2
InChI: InChI=1S/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3/b3-2+
InChIKey: OCNIKEFATSKIBE-NSCUHMNNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)\C=C\c1ccc(O)cc1
CACTVS 3.385CC(=O)C=Cc1ccc(O)cc1
OpenEye OEToolkits 2.0.6CC(=O)/C=C/c1ccc(cc1)O
OpenEye OEToolkits 2.0.6CC(=O)C=Cc1ccc(cc1)O
Name:(~{E})-4-(4-hydroxyphenyl)but-3-en-2-one
ChEMBL: CHEMBL9184
ZINC: ZINC000012341464
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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