SEQ2FUN

BioLiP

PDB CCD ID: MCW
Number of entries in BioLiP: 0
Chemical formula: C7 H6 O3
InChI: InChI=1S/C7H6O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3
InChIKey: ZJKWJHONFFKJHG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		COC1=CC(=O)C=CC1=O
ACDLabs 10.04O=C1C=CC(=O)C=C1OC
Name:2-methoxycyclohexa-2,5-diene-1,4-dione
ChEMBL: CHEMBL430845
ZINC: ZINC000001603220
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).