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BioLiP

PDB CCD ID: 4M4
Number of entries in BioLiP: 2
Chemical formula: C9 H10 O2
InChI: InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3
InChIKey: YOMSJEATGXXYPX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1(O)c(OC)cc(cc1)\C=C
CACTVS 3.385COc1cc(C=C)ccc1O
OpenEye OEToolkits 1.9.2COc1cc(ccc1O)C=C
Name:2-Methoxy-4-vinylphenol;
4-vinyl guaiacol
ChEMBL: CHEMBL1232595
DrugBank: DB03514
ZINC: ZINC000001849800
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)(download the PDF file).
  • 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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