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BioLiP

PDB CCD ID: D2M
Number of entries in BioLiP: 1
Chemical formula: C16 H18 O6
InChI: InChI=1S/C16H18O6/c1-18-11-6-5-7-12(19-2)16(11)22-10-8-13(20-3)15(17)14(9-10)21-4/h5-9,17H,1-4H3
InChIKey: JKALBPJYUOVWCR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1cccc(c1Oc2cc(c(c(c2)OC)O)OC)OC
CACTVS 3.341COc1cc(Oc2c(OC)cccc2OC)cc(OC)c1O
ACDLabs 10.04O(c1cc(OC)c(O)c(OC)c1)c2c(OC)cccc2OC
Name:4-(2,6-dimethoxyphenoxy)-2,6-dimethoxyphenol
ZINC: ZINC000058638437
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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