SEQ2FUN

BioLiP

PDB CCD ID: O9Q
Number of entries in BioLiP: 1
Chemical formula: C16 H12 O4
InChI: InChI=1S/C16H12O4/c1-9-3-2-4-10(5-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14/h2-8,17-18H,1H3
InChIKey: IGTBSDZAEVYRPZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cccc(c1)C2=CC(=O)c3c(O)cc(O)cc3O2
OpenEye OEToolkits 2.0.7Cc1cccc(c1)C2=CC(=O)c3c(cc(cc3O2)O)O
Name:2-(3-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one
ChEMBL: CHEMBL3781227
ZINC: ZINC000653729309
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).