SEQ2FUN

BioLiP

PDB CCD ID: UQ0
Number of entries in BioLiP: 45
Chemical formula: C9 H10 O4
InChI: InChI=1S/C9H10O4/c1-5-4-6(10)8(12-2)9(13-3)7(5)11/h4H,1-3H3
InChIKey: UIXPTCZPFCVOQF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC1=CC(=O)C(=C(C1=O)OC)OC
CACTVS 3.385COC1=C(OC)C(=O)C(=CC1=O)C
ACDLabs 12.01O=C1C=C(C(=O)C(OC)=C1OC)C
Name:2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE
ChEMBL: CHEMBL1812772
ZINC: ZINC000000155259
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).