SEQ2FUN

BioLiP

PDB CCD ID: R0U
Number of entries in BioLiP: 1
Chemical formula: C16 H12 O6
InChI: InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
InChIKey: OBBCRPUNCUPUOS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1c(O)cc2OC=C(C(=O)c2c1O)c3ccc(O)cc3
OpenEye OEToolkits 2.0.7COc1c(cc2c(c1O)C(=O)C(=CO2)c3ccc(cc3)O)O
Name:3-(4-hydroxyphenyl)-6-methoxy-5,7-bis(oxidanyl)chromen-4-one;
tectorigenin
ChEMBL: CHEMBL242740
ZINC: ZINC000000899915
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).