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BioLiP

PDB CCD ID: EOL
Number of entries in BioLiP: 15
Chemical formula: C10 H12 O2
InChI: InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
InChIKey: RRAFCDWBNXTKKO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370COc1cc(CC=C)ccc1O
ACDLabs 12.01Oc1ccc(cc1OC)C\C=C
OpenEye OEToolkits 1.7.2COc1cc(ccc1O)CC=C
Name:2-methoxy-4-(prop-2-en-1-yl)phenol;
eugenol
ChEMBL: CHEMBL42710
DrugBank: DB09086
ZINC: ZINC000000001411
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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