SEQ2FUN

BioLiP

PDB CCD ID: 20B
Number of entries in BioLiP: 2
Chemical formula: C15 H10 O3
InChI: InChI=1S/C15H10O3/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9,16H
InChIKey: ISZWRZGKEWQACU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)C(=O)C=C(O2)c3cccc(c3)O
CACTVS 3.370Oc1cccc(c1)C2=CC(=O)c3ccccc3O2
ACDLabs 12.01O=C1c3c(OC(=C1)c2cccc(O)c2)cccc3
Name:2-(3-hydroxyphenyl)-4H-chromen-4-one;
3'-hydroxyflavone
ChEMBL: CHEMBL147552
ZINC: ZINC000000057678
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).