SEQ2FUN

BioLiP

PDB CCD ID: ZF1
Number of entries in BioLiP: 4
Chemical formula: C15 H10 O4
InChI: InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
InChIKey: ZQSIJRDFPHDXIC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(ccc1C2=COc3cc(ccc3C2=O)O)O
ACDLabs 12.01O=C1c3c(OC=C1c2ccc(O)cc2)cc(O)cc3
CACTVS 3.370Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O
Name:7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
ChEMBL: CHEMBL8145
DrugBank: DB13182
ZINC: ZINC000018847034
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).