SEQ2FUN

BioLiP

PDB CCD ID: KIA
Number of entries in BioLiP: 0
Chemical formula: C8 H8 O4
InChI: InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3
InChIKey: OLBNOBQOQZRLMP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COC1=CC(=O)C=C(C1=O)OC
CACTVS 3.341COC1=CC(=O)C=C(OC)C1=O
ACDLabs 10.04O=C1C(OC)=CC(=O)C=C1OC
Name:2,6-dimethoxycyclohexa-2,5-diene-1,4-dione;
2,6-dimethoxy-p-benzoquinone
ChEMBL: CHEMBL448515
ZINC: ZINC000000137119
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).