SEQ2FUN

BioLiP

PDB CCD ID: HGZ
Number of entries in BioLiP: 4
Chemical formula: C13 H15 N O4
InChI: InChI=1S/C13H15NO4/c1-7-5-10(15)14-11-8(7)6-9(16-2)12(17-3)13(11)18-4/h5-6H,1-4H3,(H,14,15)
InChIKey: JAKHLWMOJRMVRW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370COc1cc2C(=CC(=O)Nc2c(OC)c1OC)C
ACDLabs 12.01O=C2C=C(c1c(c(OC)c(OC)c(OC)c1)N2)C
OpenEye OEToolkits 1.7.0CC1=CC(=O)Nc2c1cc(c(c2OC)OC)OC
Name:6,7,8-trimethoxy-4-methylquinolin-2(1H)-one
ChEMBL: CHEMBL454226
ZINC: ZINC000040859937
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).