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BioLiP

PDB CCD ID: QBF
Number of entries in BioLiP: 4
Chemical formula: C11 H16 O4
InChI: InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3
InChIKey: PHOPGVYKZWPIGA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0COc1cc(cc(c1O)OC)CCCO
CACTVS 3.385COc1cc(CCCO)cc(OC)c1O
Name:2,6-dimethoxy-4-(3-oxidanylpropyl)phenol;
propanol syringol
ChEMBL: CHEMBL3793371
ZINC: ZINC000002566016
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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